Iniparib (BSI-201) - Moligand™, ≥98% , Reactive nitro radical, CAS No.160003-66-7, Reactive nitro radical

CAS: 160003-66-7 Cat. No.: B125751 Peso molecular: 292.03 Número EC: 685-396-9
Disponible para pedir
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. ≥98%
Synonyms
DTXSID30166784 | Iniparib (BSI-201) | s1087 | J-515558 | SMR004701226 | 4-iodo-5-nitro-benzamide | IND-71677 | Iniparib [USAN] | INO2BA | SW218112-2 | NSC13254 | Q260286 | SAR-240550 | EC-000.2329 | DB13877 | Iniparib | 33E | AKOS032949733 | CHEBI:95067 |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
10mg
B125751-10mg
3
9,90US$
50mg
B125751-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
10,90US$
250mg
B125751-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

17,90US$

26,90US$
Guardar 9,00 US$ (33.46%)
1g
B125751-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

21,90US$

32,90US$
Guardar 11,00 US$ (33.43%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Iniparib (BSI-201) is a PARP1 inhibitor with demonstrated effectiveness in triple-negative breast cancer (TNBC).
Iniparib (BSI-201) is an antineoplastic originally thought to be a poly(ADP-ribose) polymerase-1 (PARP-1) inhibitor. Recent studies indicate Iniparib is not a PARP-1 inhibitor, and its mechanism of action is currently unknown.

Specifications

Sinónimos
DTXSID30166784 | Iniparib (BSI-201) | s1087 | J-515558 | SMR004701226 | 4-iodo-5-nitro-benzamide | IND-71677 | Iniparib [USAN] | INO2BA | SW218112-2 | NSC13254 | Q260286 | SAR-240550 | EC-000.2329 | DB13877 | Iniparib | 33E | AKOS032949733 | CHEBI:95067 |
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
BSI-201(Iniparib) is a potent PARP1 inhibitor with strong anti-neoplastic effect.Non-selective modifier of cysteine-containing proteins.\xa0Able to\xa0inhibit ionizing radiation-induced single-strand breaks (SSBs) repair in vitro . No ability to inhibit P
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Reactive nitro radical
Nota
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.
Pureza
≥98%
Propiedades del producto
ALogP1.3
Nombres e identificadores
Pubchem Sid504764859
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504764859
Sonrisas canónicasC1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I
IUPAC Name4-iodo-3-nitrobenzamide
InChIKeyMDOJTZQKHMAPBK-UHFFFAOYSA-N
INCHI1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
Isómeros SMILES C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I
WGK Alemania 3
Peso molecular 292.03
Reaxy-Rn 7704659
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7704659&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
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct Parent4-halobenzoic acids and derivatives
Alternative Parents Benzamides  Nitrobenzenes  Benzoyl derivatives  Nitroaromatic compounds  Iodobenzenes  Aryl iodides  Primary carboxylic acid amides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organic zwitterions  Organoiodides  Organonitrogen compounds  Hydrocarbon derivatives  Organooxygen compounds  Organic oxides  Organopnictogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxamide group - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNKS Tchem Tankyrase-1 (1241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

1 results found

Lot NumberCertificate TypeFechaArticulo
A1522077Certificate of AnalysisMar 20, 2026 B125751
Propiedades químicas y físicas
SolubilidadDMSO ≥56mg/mL Water <1.2mg/mL Ethanol ≥35mg/mL
Peso molecular292.030 g/mol
XLogP31.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass291.934 Da
Monoisotopic Mass291.934 Da
Topological Polar Surface Area88.900 Ų
Heavy Atom Count13
Formal Charge0
Complexity228.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Jinbo Ji, Baimei Tan, Nannan Zhang, Tengda Ma, Yi Xu, Shihao Zhang, Yunhui Shi, Lei Guo.  (2023)  Effects of two mild amino acids on benzotriazole residue desorption during cobalt post-chemical mechanical polishing cleaning: Experimental and theoretical studies.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.133052]
2. Haiying Zhai, Hongqin Liu, Baoling Shang, Xu Zou.  (2023)  Sarsasapogenin blocks ox-LDL-stimulated vascular smooth muscle cell proliferation, migration, and invasion through suppressing STIM1 expression.  Cardiovascular Diagnosis and Therapy,      [PMID:37405015] [10.21037/cdt-23-111]
3. Pingping Tang, Yaobin Wang, Feiyu He.  (2020)  Electrochemical sensor based on super-magnetic metal–organic framework@molecularly imprinted polymer for Sarcosine detection in urine.  Journal of Saudi Chemical Society,      [PMID:] [10.1016/j.jscs.2020.06.004]
4. Rugang Teng, Liping Wang, Mingshuo Chen, Wen Fang, Zhenguo Gao, Yinghui Chai, Pei Zhao, Ying Bao.  (2020)  Amino acid based pharmaceutical cocrystals and hydrate cocrystals of the chlorothiazide: Structural studies and physicochemical properties.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2020.128432]
5. Yue Yuan, Duanxiu Li, Chenguang Wang, Shaodong Chen, Minmin Kong, Zongwu Deng, Changquan Calvin Sun, Hailu Zhang.  (2019)  Structural Features of Sulfamethizole and Its Cocrystals: Beauty Within.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.9b01060]
6. Yuan Huang, Xiaobing Huang, Liping Huang, Qicai Liu, Yun Lei, Lijuan Yang, Liying Huang.  (2018)  Three-phase solvent bar liquid-phase microextraction combined with high-performance liquid chromatography to determine sarcosine in human urine.  JOURNAL OF SEPARATION SCIENCE,  41  (15): (3121-3128).  [PMID:29878649] [10.1002/jssc.201800353]
7. Yamin Liu, Xunjiang Wang, Jiaojiao Wei, Kangning Fu, Yilin Chen, Linnan Li, Zhengtao Wang, Li Yang.  (2024)  Comprehensive Profiling of Amino Acids and Derivatives in Biological Samples: A Robust UHPLC-MS/MS Method for Investigating Acute Lung Injury.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38537486] [10.1016/j.chroma.2024.464816]
8. Junling Peng, Fangqian Yin, Ning Ma, Jianping Wang, Jing Liu.  (2025)  Detection of 13 quinolones in milk by a Pseudomonas quinolone signaling receptor-based competitive chemiluminescence assay.  JOURNAL OF DAIRY SCIENCE,  109  (1): (68-82).  [PMID:41412679] [10.3168/jds.2025-26879]
Calculadoras de soluciones
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