Doxycycline Hydrochloride, Ready Made Solution - 100 mg/mL in DMSO , CAS No.10592-13-9

CAS: 10592-13-9 Cat. No.: D488236 Molecular Weight: 480.9 EC Number: 234-198-7
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GRADE & PURITY 100 mg/mL in DMSO
Synonyms
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))- | (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
D488236-1ml
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$113.90
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Why this grade

100 mg/mL in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

Cited in 66 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

Doxycycline is a member of the tetracycline antibiotics group, and is commonly used to treat a variety of infections. It is a Broad spectrum antibiotic and bacteriostatic. Doxycycline shows antiprotozoal properties and is a potent inhibitor of MMPs (matrix metalloproteinases)in vivo. Doxycycline is frequently used to treat Lyme disease, chronic prostatitis, sinusitis, pelvic inflammatory disease acne, rosacea, and rickettsial infections and prophylaxis of anthrax (caused byBacillus anthracis). It is also effective againstYersinia pestis. Treatment with doxycycline inhibits collagen synthesis.

Specifications

Synonyms
2-Naphthacenecarboxamide, 4-(dimethylamino)-1, 4, 4a, 5, 5a, 6, 11, 12a-octahydro-3, 5, 10, 12, 12a-pentahydroxy-6-methyl-1, 11-dioxo-, monohydrochloride, (4S-(4alpha, 4aalpha, 5alpha, 5aalpha, 6alpha, 12aalpha))- | (4S, 4aR, 5S, 5aR, 6R, 12aR)-4-(dimethylamino)-1, 5, 10, 11, 12a-
Specifications & Purity
100 mg/mL in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
IUPAC Name(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
InChIKeyPTNZGHXUZDHMIQ-CVHRZJFOSA-N
INCHI1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
Isomeric SMILES C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
Alternate CAS 100929-47-3;24390-14-5
Molecular Weight 480.9
Reaxy-Rn 37256518
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37256518&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassTetracyclines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetracyclines
Alternative Parents Naphthols and derivatives  Cyclohexenones  Aralkylamines  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Tertiary alcohols  Trialkylamines  Secondary alcohols  Cyclic alcohols and derivatives  Polyols  Enols  Carboximidic acids  Organopnictogen compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Tetracycline - 1-naphthol - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Vinylogous acid - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Polyol - Enol - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HEK293 (82097 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
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhi (4293 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptomyces thermovulgaris (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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:
Chemical and Physical Properties
SolubilityDMSO: 100mg/mL
Flash Point(°C)87℃
Boil Point(°C)762.6°C at 760 mmHg
Melt Point(°C)195-201℃
Molecular Weight480.900 g/mol
XLogP3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass480.13 Da
Monoisotopic Mass480.13 Da
Topological Polar Surface Area182.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity956.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Documents & Articles
Citations of This Product
References
1. Tao Mi, Zhaoxia Zhang, Chenghao Zhanghuang, Liming Jin, Xiaojun Tan, Jiayan Liu, Xin Wu, Mujie Li, Jinkui Wang, Zhang Wang, Peng Guo, Dawei He.  (2023)  Doxycycline hydrochloride inhibits the progress of malignant rhabdoid tumor of kidney by targeting MMP17 and MMP1 through PI3K-Akt signaling pathway.  EUROPEAN JOURNAL OF PHARMACOLOGY,      [PMID:38158115] [10.1016/j.ejphar.2023.176291]
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3. Xiangdong Zhang, Jian Zhang, Bowen Hou, Xueying Yang, Junlian Ren, Chen Shao.  (2023)  Efficient removal of oxytetracycline hydrochloride by ZIF-67 coated hollow spherical CuS (CuS-PVP@ZIF-67) under the synergistic effect of adsorption and PMS activation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.158663]
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19. Pei Chen, Wei Wang, Ningning Dong, Junjie Zhang, Tao Yang, Fatang Tan, Songwei Tan, Xinyun Wang, Xueliang Qiao, Po Keung Wong.  (2022)  Facile in-situ fabrication of ZnO2/CQD composites with promoted visible-light photocatalytic activities for organic degradation and bacterial inactivation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.154629]
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21. Piaoyang Li, Danmei Rao, Yimei Wang, Xiaorong Hu.  (2021)  Adsorption characteristics of polythiophene for tetracyclines and determination of tetracyclines in fish and chicken manure by solid phase extraction-HPLC method.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2021.106935]
22. Jia Wei, Yitao Liu, Jun Li, Yuhan Zhu, Hui Yu, Yongzhen Peng.  (2019)  Adsorption and co-adsorption of tetracycline and doxycycline by one-step synthesized iron loaded sludge biochar.  CHEMOSPHERE,      [PMID:31306978] [10.1016/j.chemosphere.2019.06.224]
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39. Shefeng Li, Yong Zhang, Siyu Ding, Xuli Li, Wei Wang, Ningning Dong, Miaomiao Nie, Pei Chen.  (2024)  Investigation into the Synergistic Effect of the Zinc Peroxide/Peroxymonosulfate Double-Oxidation System for the Efficient Degradation of Tetracycline.  MOLECULES,  29  (17): (4120).  [PMID:39274968] [10.3390/molecules29174120]
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42. Shuyue Xiong, Zijian Wu, Fang Li, Pei Zhao, Haitao Li, Huanxin Bao, Xu Yang.  (2024)  Self-assembled sensing interface based on specific aptamer functionalized Ti3C2 MXene for ultrasensitive antibiotic detection in milk.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116186]
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44. Chun-Ying Xu, Yi-Xin Zhong, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2024)  Thiol-yne click post-synthesis of phenylboronic acid-functionalized magnetic cyclodextrin microporous organic network for selective and efficient extraction of antiepileptic drugs.  TALANTA,      [PMID:38897013] [10.1016/j.talanta.2024.126440]
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