BMS-813160 500mg

CAT: 0628-A17040-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A17040-500Size:500 mg

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CAS Number

1286279-29-5

Chemical Information

Bms-813160

BMS-813160 is under investigation in clinical trial NCT03496662 (BMS-813160 With Nivolumab and Gemcitabine and Nab-paclitaxel in Borderline Resectable and Locally Advanced Pancreatic Ductal Adenocarcinoma (PDAC)).

CAS Number	1286279-29-5
PubChem CID	51039119
IUPAC Name	N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-[(7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide
Molecular Formula	C25H40N8O2
Molecular Weight	484.6
XLogP	2.7
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	778

SMILES

CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC3=NC=NC4=CC(=NN43)C(C)(C)C)NC(C)(C)C

InChI

InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1

InChIKey

CMVHFGNTABZQJU-HCXYKTFWSA-N

Chemical Structure

2D Structure

CAS: 1286279-29-5

CID: 51039119

Formula: C25H40N8O2

MW: 484.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	484.6
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	484.32742255
Monoisotopic Mass	484.32742255
Topological Polar Surface Area	117 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	778
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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A17040-50	BMS-813160 50mg
A17040-5	BMS-813160 5mg
A17040-1	BMS-813160 1mg
A17040-100	BMS-813160 100mg
A17040-25	BMS-813160 25mg
A17040-10	BMS-813160 10mg
A17040-2	BMS-813160 2mg
A17040-10mM-D	BMS-813160 10mM * 1mL in DMSO
A11201-500	BMS-806 (BMS 378806) 500mg
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Alternative Products

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BB164193-01	BMS 813160
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MBS386661-01	BMS-806 (BMS 378806)
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005PM-004-30	Welchrom C18/PSA/C18, 500mg/500mg/500mg/6mL, 30pcs/pk
HY-172736-01	BMS-986458

BMS-813160 500mg

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