AG0026XG

179324-69-7 | Boronic acid, B-[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]-

AG0026XG

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CAS Number	179324-69-7
Catalog Number	AG0026XG(AGN-PC-0QBJWX)
Chemical Name	Boronic acid, B-[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]-
EC Number	605-854-3
IUPAC Name	[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
InChI	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
InChI Key	GXJABQQUPOEUTA-RDJZCZTQSA-N
MDL Number	MFCD09056737
Molecular Formula	C19H25BN4O4
Molecular Weight	384.2372
NSC Number	681239
SMILES	CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1cnccn1)Cc1ccccc1)C
UNII	69G8BD63PP
Synonyms	341, PS, bortezomib, LDP 341, LDP-341, LDP341, PS 341, PS-341, PS341, Velcade, Bortezomib, 179324-69-7, Velcade, PS-341, Bortezomib (PS-341), LDP-341, Ps 341, DPBA, UNII-69G8BD63PP, Bortezomib (Velcade), N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, MLN-341, [(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid, [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid, 69G8BD63PP, CHEMBL325041, Boronic acid, B-[(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]-, CHEBI:52717, MFCD09056737, MG-341, NSC681239, ((R)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid, NSC-681239, LDP 341, NCGC00242506-02, S1013, PS 341 (pharmaceutical), DSSTox_CID_20980, DSSTox_RID_79609, N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide, DSSTox_GSID_40980, MG 341, Pyz-Phe-boroLeu, NSC 681239, (R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butylboronic acid, [(1R)-3-methyl-1-({(2S)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoyl}amino)butyl]boronic acid, Velcade (TN), CAS-179324-69-7, Brotezamide, PROSCRIPT BORONIC ACID, Bortezomib [USAN:INN:BAN], C19H25BN4O4, HSDB 7666, Bortezomib,Velcade, LPD 341, LPD-341, Velcade, Radiciol, NCGC00168751-01, NCGC00181022-01, Velcade (Millenium), PubChem17777, 3mg0, AC1L8TUW, cc-75, MLS004774142, Bortezomib (JAN/USAN/INN), SCHEMBL192129, GTPL6391, DTXSID3040980, CTK8B8979, AOB6368, GXJABQQUPOEUTA-RDJZCZTQSA-N, ((1R)-3-Methyl-1-(((2S)-3-phenyl-2-((pyrazinylcarbonyl)amino)propanoyl)amino)butyl)boronic acid, Boronic acid, ((1R)-3-methyl-1-(((2S)-1-oxo-3-phenyl-2-((pyrazinylcarbonyl)amino)propyl)amino)butyl)-, Boronic acid, (3-methyl-1-((1-oxo-3-phenyl-2-((pyrazinylcarbonyl)amino)propyl)amino)butyl)-, (S-(R*,S*))-, N-((1S)-1-Benzyl-2-(((1R)-1-(dihydroxyboranyl)-3-methylbutyl)amino)-2-oxoethyl)pyrazinecarboxamide, N-((1S)-1-benzyl-2-(((1R)-1-(dihydroxyboranyl)-3-methylbutyl)amino)2-oxoethylpyrazinecarboxamide, Tox21_112630, Tox21_112672, ABP000234, ANW-61718, BDBM50069989, CB0261, AKOS015909706, Tox21_112672_1, ZINC169746649, AM81235, API0001750, CS-1039, DB00188, MG-341; PS-341, PB14673, RL02288, Bortezomib (Velcade MG-341 PS-341), Bortezomib/Velcade, MG-341, PS-341, NCGC00242506-01, NCGC00242506-07, AS-15721, BC201423, HY-10227, NCI60_029010, Q425, SC-23571, SMR003500787, AB0017579, AB2000734, AX8106087, RT-000308, ST2406732, FT-0082488, FT-0602235, SW208077-3, KS-00000761, D03150, Q-4365, AB01273951-01, AB01273951-02, AB01273951_03, 324B697, SR-01000939863, I14-3268, SR-01000939863-2, BRD-K88510285-001-02-0, Velcade, MG-341, PS-341,179324-69-7, (R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-6-carboxamido)propanamido)butylboronic acid, (1R)-3-Methyl-1-({(2S)-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propanoyl}amino)butylboronic acid, AldrichCPR, (R)-3-METHYL-1-((S)-3-PHENYL-2-(PYRAZINE-2-CARBOXAMIDO)PROPANAMIDO)BUTAN-2-YLBORONIC ACID, [(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]-butyl]boronic acid, [(1R)-3-METHYL-1-[[(2S)-1-OXO-3-PHENYL-2-[(PYRAZINYLCARBONYL)AMINO]PROPYL]AMINO]BUTYL]-BORONIC ACID, Boronic acid, [(1(R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]-, N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-N(alpha)-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide, radiciol, Peptide boronate, Velcade(PS-341), (1S,2R) Bortezomib, Bortezomib [USAN:INN], Boronic acid, L-(S)-, D0SH3I, Bortezomib(JAN/USAN/INN), LDP341, Peptidyl boronic acid derivative, Bortezomib (Proteasome inhibitor), Dipeptidyl boronic acid derivative, PS341, Bortezomib, 98% - 25MG 25mg, C19-H25-B-N4-O4, CID387447, 341, PS, ACN-030054, CS-O-00482, CS-O-20087, Velcade, MG-341, PS-341, Bortezomib, A2614, A10160, C400082, D000069286, n-(2-pyrazine)carbonyl-l-phenylalanine-l-leucine boronic acid, BO2,

Complexity	500
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	384.197g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	384.243g/mol
Monoisotopic Mass	384.197g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300-H310-H330-H372
Packing Group	Ⅱ
Precautionary statements	P260-P301+P310-P304+P340-P320-P330-P361-P405-P501
UN Code	UN 3249

Certificate of Analysis

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