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INO-1001 - 98%, high purity , CAS No.501364-82-5

Grade & Purity:

≥98%

Cas Number: 501364-82-5
Molecular Weight: 439.5
PubChem CID: 9889396

In stock

Item Number

I651235

Grouped product items
SKU	Size	Availability	Price
I651235-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$97.90
I651235-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90
I651235-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$510.90
I651235-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$850.90

View related series

Cell Cycle/DNA Damage (2602) DNA Damage (697) Epigenetics (1496) Histone Modification (1379) PARP (124)

Synonyms	N-(3-Morpholinopropyl)-5-oxo-6,11-dihydro-5H-indeno[1,2-c]isoquinoline-9-sulfonamide \| HY-15045 \| INO-1001 free base \| BDBM27525 \| 5H-Indeno(1,2-C)isoquinoline-9-sulfonamide, 6,11-dihydro-N-(3-(4-morpholinyl)propyl)-5-oxo- \| UNII-343SLZ0F89 \| 5H-Indeno[1,
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	INO-1001 is a potent and selective poly (ADP-ribose) polymerase (PARP) inhibitor. INO-1001 is a potent enhancer of radiation sensitivity and enhances radiation-induced cell killing by interfering with DNA repair mechanisms, resulting in necrotic cell deat
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	INO-1001 is a potent and selective poly (ADP-ribose) polymerase (PARP) inhibitor. INO-1001 is a potent enhancer of radiation sensitivity and enhances radiation-induced cell killing by interfering with DNA repair mechanisms, resulting in necrotic cell death INO-1001 has anti-tumor effects . In Vitro INO-1001 has an IC 50 of 0.05 μM in Chinese hamster ovary AA8 (CHO) cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:PARP

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Isoquinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolones and derivatives
Alternative Parents	Pyridinones Organosulfonamides Morpholines Benzenoids Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Pyridinone - Morpholine - Oxazinane - Pyridine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
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

IUPAC Name	N-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
INCHI	InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)
InChIKey	LTZVLHHIAUKGBP-UHFFFAOYSA-N
Smiles	C1COCCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4
Isomeric SMILES	C1COCCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4
PubChem CID	9889396
Molecular Weight	439.5

Solubility	DMSO : 31.25 mg/mL (71.10 mM; Need ultrasonic)
Molecular Weight	439.500 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	439.157 Da
Monoisotopic Mass	439.157 Da
Topological Polar Surface Area	96.100 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	815.000
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

INO-1001 - 98%, high purity , CAS No.501364-82-5

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