AG00C2BY

205393-22-2 | Bortezomib-pinanediol

AG00C2BY

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	205393-22-2
Catalog Number	AG00C2BY(AGN-PC-0QV9Q8)
Chemical Name	Bortezomib-pinanediol
IUPAC Name	N-[(2S)-1-[[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
InChI	InChI=1S/C29H39BN4O4/c1-18(2)13-25(30-37-24-16-20-15-23(28(20,3)4)29(24,5)38-30)34-26(35)21(14-19-9-7-6-8-10-19)33-27(36)22-17-31-11-12-32-22/h6-12,17-18,20-21,23-25H,13-16H2,1-5H3,(H,33,36)(H,34,35)/t20-,21-,23-,24+,25-,29-/m0/s1
InChI Key	HZCSTPSWJFWZHP-GQABWHEGSA-N
MDL Number	MFCD11973734
Molecular Formula	C29H39BN4O4
Molecular Weight	518.4554
SMILES	O=C(C1=NC=CN=C1)N[C@@H](CC2=CC=CC=C2)C(N[C@H](B3O[C@@](C[C@@]4([H])C(C)(C)[C@]5([H])C4)([H])[C@@]5(C)O3)CC(C)C)=O
Synonyms	Bortezomib-pinanediol, 205393-22-2, Bortezomib Pinanediol Ester, Bortezomib pinanediol, BORTEZOMIBPINANEDIOLESTER, (1R)-(1S,2S,3R,5S)-Pinanediol-N-(N-pyrazinylphenylalaninoyl)-1-amino-3-methyl-butane-1-boronate, N-((S)-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide, N-[(1S)-2-[[(1R)-1-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-2-pyrazinecarboxamide, CHEMBL501663, SCHEMBL8098845, C29H39BN4O4, HZCSTPSWJFWZHP-GQABWHEGSA-N, MFCD11973734, AKOS015841786, AKOS015950824, ZINC169952278, DS-4785, AC-22608, SC-22247, FT-0603949, ST24046242, Y0262, 393B222, (1alpha,5alpha)-2,6,6-Trimethyl-2alpha,3alpha-[[(R)-1-[N-(pyrazine-2-ylcarbonyl)-L-phenylalanylamino]-3-methylbutyl]boranediylbisoxy]bicyclo[3.1.1]heptane, N-{(1R)-3-Methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide, ACN-044348,

Complexity	866
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	518.306g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	518.465g/mol
Monoisotopic Mass	518.306g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number