GS-9901 500mg

CAT: 0628-A12988-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A12988-500Size:500 mg

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CAS Number

1640247-87-5

Chemical Information

Gs-9901

PI3Kdelta Inhibitor GS-9901 is an orally bioavailable, small molecule inhibitor of the delta isoform of phosphoinositide-3 kinase (PI3Kdelta) with potential immunomodulating and antineoplastic activities. Upon oral administration, PI3Kdelta inhibitor GS-9901 selectively binds to the delta isoform of PI3K and inhibits its activity. This inhibits the activation of the PI3Kdelta-mediated signaling pathway and prevents proliferation of PI3Kdelta-overexpressing tumor cells. Unlike other isoforms of PI3K, PI3Kdelta is expressed primarily in certain tumor cell types and plays a key role in tumor cell proliferation, motility and survival. The targeted inhibition of PI3Kdelta is designed to preserve PI3K signaling in normal, non-neoplastic cells and thus reduces toxicity to normal, healthy cells.

CAS Number	1640247-87-5
PubChem CID	86763204
IUPAC Name	2,4-diamino-6-[[(S)-(5-chloro-8-fluoro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-cyclopropylmethyl]amino]pyrimidine-5-carbonitrile
Molecular Formula	C22H17ClFN9O
Molecular Weight	477.9
XLogP	2.8
Topological Polar Surface Area	159
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	863

SMILES

C1CC1[C@@H](C2=NC3=C(C=CC(=C3C(=O)N2C4=CN=CC=C4)Cl)F)NC5=NC(=NC(=C5C#N)N)N

InChI

InChI=1S/C22H17ClFN9O/c23-13-5-6-14(24)17-15(13)21(34)33(11-2-1-7-28-9-11)20(30-17)16(10-3-4-10)29-19-12(8-25)18(26)31-22(27)32-19/h1-2,5-7,9-10,16H,3-4H2,(H5,26,27,29,31,32)/t16-/m0/s1

InChIKey

XDSXYMOZKDUASY-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 1640247-87-5

CID: 86763204

Formula: C22H17ClFN9O

MW: 477.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.9
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	477.1228621
Monoisotopic Mass	477.1228621
Topological Polar Surface Area	159 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	863
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BA8760-10	GS-9901
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HY-R02547-01	Hsa-miR-9901 mimic
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MBS5680593-01	Anti-Influenza B 9901 SPTNZ-5
MBS131349	Selonsertib (GS-4997; GS4997; GS 4997)
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GS-9901 500mg

Chemical Information

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