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
      - Level5 Halobenzoic acids and derivatives
        Level6 4-halobenzoic acids and derivatives

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	1.3

Associated Targets(Human)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)

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Homo sapiens (32628 Activities)

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HEK293 (82097 Activities)

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TNKS Tchem Tankyrase-1 (1241 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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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)

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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 Å²
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jinbo Ji, Baimei Tan, Nannan Zhang, Tengda Ma, Yi Xu, Shihao Zhang, Yunhui Shi, Lei Guo. (2024) 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, 683 (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, 13 (3): ( 441–452).
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, 24 (620).
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, 1217 (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, 19 (12): (7185–7192).
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).
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, (464816).

Solution Calculators

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SKU	Size	Availability	Price
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

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

Basic Description

Taxonomic Classification

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

Customer Reviews