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

7 Citations COA COA
In stock
Item Number
B125751
Grouped product items
SKU Size
Availability
 Price Qty
B125751-10mg
10mg
3
$90.90
B125751-50mg
50mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$325.90
B125751-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,467.90
B125751-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$5,281.90
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Non-selective modifier of cysteine-containing proteins

View related series
Anti-infection (2803) Cell Cycle/DNA Damage (2602) DNA Damage (697) Epigenetics (1496) Histone Modification (1379) Influenza Virus (253) PARP (124) Virus (1811)

Basic Description

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 |
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms 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
Storage Temp Room temperature
Shipped In Normal
Grade Moligand™
Mechanism of action Reactive nitro radical
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.
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct Parent 4-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 Framework Aromatic 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
Description This 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

Product Properties

ALogP 1.3

Associated Targets(Human)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TNKS Tchem Tankyrase-1 (1241 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida albicans (78123 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504764859
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504764859
IUPAC Name 4-iodo-3-nitrobenzamide
INCHI InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKey MDOJTZQKHMAPBK-UHFFFAOYSA-N
Smiles C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I
Isomeric SMILES C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I
WGK Germany 3
Molecular Weight 292.03
Reaxy-Rn 7704659
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7704659&ln=

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.

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Lot Number Certificate Type Date Item
A1522077 Certificate of Analysis Jun 05, 2024 B125751

Chemical and Physical Properties

Solubility DMSO ≥56mg/mL Water <1.2mg/mL Ethanol ≥35mg/mL
Molecular Weight 292.030 g/mol
XLogP3 1.300
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 291.934 Da
Monoisotopic Mass 291.934 Da
Topological Polar Surface Area 88.900 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 228.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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