YCH3292

CAT: 0013-GTR19274826-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19274826-02Size:10 mg

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Description

YCH3292, a derivative of YCH189, is a potent, selective, and orally active PARP1/2 inhibitor with IC50 values of less than 0.001 nM. YCH3292 enhances the stability of PARP-DNA complexes and exhibits strong antiproliferative activity. It induces DNA double-strand breaks, increases protein levels of γH2AX, P-RPA32, and P-Chk1, and causes tumor cells to undergo S phase or G2/M phase arrest and apoptosis (apoptosis) . In the MC38 xenograft model, YCH3292 effectively suppresses tumor growth.

CAS Number

3049753-10-5

Smiles

O=C1NN=C (C=2C=CC=CC12) CC3=CC=C (F) C (=C3) C (=O) N4CC5=NN=C (C=6OC (=CC6) C7CC7) N5CC4

Molecular Formula

C28H23FN6O3

Molecular Weight

510.53

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-[[3-[3-(5-cyclopropylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one

CAS Number	3049753-10-5
PubChem CID	178421193
IUPAC Name	4-[[3-[3-(5-cyclopropylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
Molecular Formula	C28H23FN6O3
Molecular Weight	510.5
XLogP	2.3
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	38
Formal Charge	0
Complexity	961

SMILES

C1CC1C2=CC=C(O2)C3=NN=C4N3CCN(C4)C(=O)C5=C(C=CC(=C5)CC6=NNC(=O)C7=CC=CC=C76)F

InChI

InChI=1S/C28H23FN6O3/c29-21-8-5-16(14-22-18-3-1-2-4-19(18)27(36)33-30-22)13-20(21)28(37)34-11-12-35-25(15-34)31-32-26(35)24-10-9-23(38-24)17-6-7-17/h1-5,8-10,13,17H,6-7,11-12,14-15H2,(H,33,36)

InChIKey

BVSOIIODYLEQIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3049753-10-5

CID: 178421193

Formula: C28H23FN6O3

MW: 510.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	510.5
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	510.18156678
Monoisotopic Mass	510.18156678
Topological Polar Surface Area	106 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	961
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

YCH3292

Chemical Information

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