DL-Sulforaphane - Moligand™, ≥70% , CAS No.4478-93-7

CAS: 4478-93-7 Cat. No.: S140384 Molecular Weight: 177.29 EC Number: 878-934-0
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥70%
Synonyms
AKOS006282481 | 4-Methylsulfinyl butyl isothiocyanate | Z1198151975 | BRD-A58955223-001-02-0 | 4-isothiocyanatobutyl methyl sulfoxide | R,S-Sulforaphane | (+/-)-sulforaphane | (R)-Sulforaphane;(-)-Sulforaphane;4-Methylsulfinylbutyl isothiocyanate | DL-Sul
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
S140384-50mg
1

$270.90

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250mg
S140384-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$847.90

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1g
S140384-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$2,589.90

$3,022.90
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Why this grade

Moligand™, ≥70% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

A potent, selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Occurs naturally in broccoli and was found to inhibit chemically induced mammary tumor formation in rats. Antitumor agent.
Selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Organosulfur compound found in cruciferous vegetables, including broccoli.

Specifications

Synonyms
AKOS006282481 | 4-Methylsulfinyl butyl isothiocyanate | Z1198151975 | BRD-A58955223-001-02-0 | 4-isothiocyanatobutyl methyl sulfoxide | R, S-Sulforaphane | (+/-)-sulforaphane | (R)-Sulforaphane;(-)-Sulforaphane;4-Methylsulfinylbutyl isothiocyanate | DL-Sul
Specifications & Purity
Moligand™, ≥70%
Biochemical and Physiological Mechanisms
An inducer of phase II detoxification enzymes.Potent, non-competitive antagonist of the aryl hydrocarbon (Ah) receptor (IC 50 = 1 μM). Isothiocyanate. Induces epoxide hydrolase. Anticarcinogenic. Active i n vivo and in vitro .
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥70%
Names and Identifiers
Canonical SmilesCS(=O)CCCCN=C=S
IUPAC Name1-isothiocyanato-4-methylsulfinylbutane
InChIKeySUVMJBTUFCVSAD-UHFFFAOYSA-N
INCHI1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
Isomeric SMILES CS(=O)CCCCN=C=S
WGK Germany 3
Molecular Weight 177.29
Reaxy-Rn 1723237
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723237&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassSulfoxides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentSulfoxides
Alternative Parents Isothiocyanates  Sulfinyl compounds  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Sulfoxide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
External Descriptors sulfoxide - isothiocyanate
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIF Tchem Macrophage migration inhibitory factor (979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGM2 Tchem Protein-glutamine gamma-glutamyltransferase (1221 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NQO1 Tchem Quinone reductase 1 (1746 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-375 (9258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGS (1999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LoVo (4724 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1975 (4994 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGC-7901 (2773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SiHa (2051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW480 (6023 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THP-1 (11052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-431 (6446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1299 (3248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HONE1 cell line (118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-9 (1037 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMMC-7721 (5516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1650 (1118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KEAP1 Tclin Kelch-like ECH-associated protein 1 (1736 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ARPE-19 (321 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC827 (1172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hep 3B2 (2332 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L02 (4864 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PNT1A (47 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAFK Tbio BACH1/MafK (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryz Quinone oxidoreductase (288 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania infantum (5912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania donovani (89745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LLC-PK1 (2135 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEF (1005 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero (26788 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nqo1 NAD(P)H dehydrogenase [quinone] 1 (1058 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lasR Transcriptional activator protein lasR (432 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rhlR Regulatory protein RhlR (305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 KEAP1/NRF2 (17 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HBZY-1 (111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
A2626147Certificate of AnalysisFeb 04, 2026 S140384
J2524209Certificate of AnalysisNov 08, 2025 S140384
H2112286Certificate of AnalysisMay 12, 2025 S140384
H2112296Certificate of AnalysisMay 12, 2025 S140384
H2112297Certificate of AnalysisMay 12, 2025 S140384
I1814099Certificate of AnalysisJul 18, 2022 S140384
L2410143Certificate of AnalysisMay 20, 2021 S140384
Chemical and Physical Properties
SolubilitySoluble in Chloroform, Dichloromethane, Diethyl Ether, methanol and DMSO, Soluble in Chloroform, Dichloromethane, Diethyl Ether, methanol and DMSO
Molecular Weight177.300 g/mol
XLogP31.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass177.028 Da
Monoisotopic Mass177.028 Da
Topological Polar Surface Area80.700 Ų
Heavy Atom Count10
Formal Charge0
Complexity152.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Ao-Chun Yue, Xu-Dong Zhou, Hui-Ping Song, Xu-Han Liu, Ming-Jun Bi, Wei Han, Qin Li.  (2023)  Effect and molecular mechanism of Sulforaphane alleviates brain damage caused by acute carbon monoxide poisoning:Network pharmacology analysis, molecular docking, and experimental evidence.  ENVIRONMENTAL TOXICOLOGY,      [PMID:37860845] [10.1002/tox.24000]
2. Guangyang Liu, Xuan Zhang, Jian Wang, Lingyun Li, Jiayong Cao, Chen Yin, Yuan Liu, Ge Chen, Jun Lv, Xiaomin Xu, Jing Wang, Xiaodong Huang, Donghui Xu.  (2023)  Facile preparation of biomimetic mineralized COFs based on magnetic silk fibroin and its effective extraction of sulforaphane from cruciferous vegetables.  FOOD CHEMISTRY,      [PMID:37722339] [10.1016/j.foodchem.2023.137482]
3. Linlin Jia, Xiaoqiang Peng, Zeyuan Deng, Bing Zhang, Hongyan Li.  (2023)  The structural characterization of polysaccharides from three cultivars of Moringa oleifera Lam. root and their effects on human intestinal microflora.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.102482]
4. Wenxiu Zheng, Wenhao Wang, Desheng Fu, Tianyu Zhang, Zhengrui Liang, Ling Yan, Changhong Liu, Lei Zheng.  (2022)  Microwave bag cooking affects the quality, glucosinolates content and hydrolysate production of broccoli florets.  FOOD RESEARCH INTERNATIONAL,      [PMID:36738020] [10.1016/j.foodres.2022.112401]
5. Qi Zhang, Wanshuang Cao, Chenying Yang, Lixia Hong, Shanshan Geng, Hongyu Han, Caiyun Zhong.  (2022)  Isothiocyanates attenuate immune checkpoint blockage therapy in gastric cancer via induction of PD-L1 expression.  JOURNAL OF NUTRITIONAL BIOCHEMISTRY,      [PMID:36435292] [10.1016/j.jnutbio.2022.109226]
6. Shaoqing Chen, Ziyu Wang, Li Liu, Yuting Li, Xinye Ni, Hong Yuan, Cheng Wang.  (2022)  Redox homeostasis modulation using theranostic AIE nanoparticles results in positive-feedback drug accumulation and enhanced drug penetration to combat drug-resistant cancer.  Materials Today Bio,      [PMID:36060105] [10.1016/j.mtbio.2022.100396]
7. Yun Liu, Xue Wang, Bo Si, Tong Wang, Yun Wu, Ying Liu, Yemian Zhou, Haiyang Tong, Xinwei Zheng, An Xu.  (2022)  Zinc oxide/graphene oxide nanocomposites efficiently inhibited cadmium-induced hepatotoxicity via releasing Zn ions and up-regulating MRP1 expression.  ENVIRONMENT INTERNATIONAL,      [PMID:35667343] [10.1016/j.envint.2022.107327]
8. Xi Zhao, Zhenhua Liu, Jie Gao, Hu Li, Xiaorong Wang, Yinchuan Li, Fei Sun.  (2020)  Inhibition of ferroptosis attenuates busulfan-induced oligospermia in mice.  TOXICOLOGY,      [PMID:32416107] [10.1016/j.tox.2020.152489]
9. Xianghui Huang, Jia Xu, Ye Xu, Bingxin Huangfu, Feng Zhang, Yanzhou Hu, Ruxin Gao, Xinxin Ren, Boyang Zhang, Kunlun Huang, Xiaoyun He.  (2024)  Sulforaphane ameliorates non-alcoholic steatohepatitis by KLF4-mediated macrophage M2 polarization.  Food Science and Human Wellness,      [PMID:] [10.26599/FSHW.2022.9250220]
10. Qilei Wang, Zhenzhen Feng, Chan Shi, Xingang Lyu, DaiDi Fan.  (2024)  Sulforaphane nanoparticles coated with zein-propylene glycol alginate attenuate N-diethylnitrosamine-induced liver injury in mice.  JOURNAL OF FOOD SCIENCE,  89  (10): (6707-6719).  [PMID:39218937] [10.1111/1750-3841.17156]
11. Shuling He, Lvyun Sun, Jiali Chen, Yixin Li, Ying Pan, Amei Su, Qiuyao Mao, Jiaqian Hu, Disheng Feng, Yang Ouyang.  (2025)  Therapeutic Effects of Sulforaphane on Helicobacter pylori-Infected Mice: Insights from High-Coverage Metabolomics and Lipidomics Analyses of Serum and Liver.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (16): (7791).  [PMID:40869112] [10.3390/ijms26167791]
12. Shiping Yang, Leyuan Feng, Junliang Luo, Jichang Jian, Shuanghu Cai, Huiling Liu.  (2025)  Sulforaphane Repairs Oxidative Stress Damage Induced by Oxidized Fish Oil by Activating Nrf2 in Litopenaeus vannamei.  AQUACULTURE NUTRITION,  2025  (1): (6665220).  [PMID:40923044] [10.1155/anu/6665220]
13. Xing Li, Jipeng Zhang, Xiangyu Liu, Zijian Wu, Zhipeng Yu, Wen Zhang, Yuanzhi Wang, Zekun Li, Martien A. Cohen Stuart, Leonard M.C. Sagis, Minchun Lv, Jie Xiao, Yuan Li.  (2025)  Gastric-mucus penetrating and responsive microgels for alleviating Helicobacter pylori-induced gastritis.  JOURNAL OF CONTROLLED RELEASE,      [PMID:40288498] [10.1016/j.jconrel.2025.113741]
14. Liyan Yao, Xinhua Pu, Yuanlin Wu, Ke Zhang, Alexander Berestetskiy, Qiongbo Hu, Qunfang Weng.  (2025)  An Optimized Bioassay System for the Striped Flea Beetle, Phyllotreta striolata.  Insects,  16  (5): (510).  [PMID:40429223] [10.3390/insects16050510]
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