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Iniparib (BSI-201)

CAT: 1568-C07504-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C07504-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160003-66-7
Synonyms
NSC-746045, IND-71677
SKU
C07504-10mg
Target
PARP
Applications
DNA Damage/DNA Repair
Smiles
C1=CC (=C (C=C1C (=O) N) [N+] (=O) [O-]) I
Molecular Formula
C7H5IN2O3
Additionnal Information
Iniparib (BSI-201, NSC-746045, IND-71677) is a PARP1 inhibitor with demonstrated effectiveness in triple-negative breast cancer (TNBC) . Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Iniparib

4-iodo-3-nitrobenzamide is an organohalogen compound and a carbonyl compound.

CAS Number160003-66-7
PubChem CID9796068
IUPAC Name4-iodo-3-nitrobenzamide
Molecular FormulaC7H5IN2O3
Molecular Weight292.03
XLogP1.3
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity228
SMILES
C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I
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
Chemical Structure
2D Structure
2D structure of Iniparib
CAS: 160003-66-7
CID: 9796068
Formula: C7H5IN2O3
MW: 292.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.03
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass291.93449
Monoisotopic Mass291.93449
Topological Polar Surface Area88.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS384415-01BSI-201 (Iniparib)
A4157-200Iniparib (BSI-201)
A10164-500BSI-201 (Iniparib) 500mg
A10164-5BSI-201 (Iniparib) 5mg
A10164-25BSI-201 (Iniparib) 25mg
A10164-10mM-DBSI-201 (Iniparib) 10mM * 1mL in DMSO
MBS3602297-01BSI-201
MBS808234-01BSI 201
A10164-200BSI-201 200mg
A10164-50BSI-201 50mg

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