Photobiotin

HCID 15949227
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基本情報

CAS
96087-37-5
標準SMILES
CN(CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)CCCNc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-]
InChIKey
BRLRJZRHRJEWJY-VCOUNFBDSA-N
分子式
C23H35N9O4S
平均分子量
533.6 g/mol

概要

structure given in first source

名称と識別子

優先名称
Photobiotin
IUPAC
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide

名称と別名

photobiotin96087-37-553LXX17EV4N-(4-Azido-2-nitrophenyl)-N',N-biotinyl-3-aminopropyl-N'-methyl-1,3-propanediamine1H-Thieno(3,4-d)imidazole-4-pentanamide, N-(3-((3-((4-azido-2-nitrophenyl)amino)propyl)methylamino)propyl)hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-DTXSID80903944RefChem:173946DTXCID8013318925-((3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)-N-(3-(3-(4-azido-2-nitroanilino)propyl-methylamino)propyl)pentanamideUNII-53LXX17EV4SCHEMBL29442552BRLRJZRHRJEWJY-VCOUNFBDSA-N
名称をさらに表示
EZ-LINK PHOTOACTIVATABLE BIOTIN5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamideN-(4-Azido-2-nitrophenyl)-N'-(N-d-biotinyl-3-aminopropyl)-N'-methyl-1,3-propanediamine(3AS,4S,6AR)-N-(3-((3-((4-AZIDO-2-NITROPHENYL)AMINO)PROPYL)METHYLAMINO)PROPYL)HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANAMIDE136233-53-91H-THIENO(3,4-D)IMIDAZOLE-4-PENTANAMIDE, N-(3-((3-((4-AZIDO-2-NITROPHENYL)AMINO)PROPYL)METHYLAMINO)PROPYL)HEXAHYDRO-2-OXO-, (3AS,4S,6AR)-N-(3-((3-((4-Azido-2-nitrophenyl)amino)propyl)(methyl)amino)propyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamideN-(4-azido-2-nitro-phenyl)-N' -(N-d-biotinyl-3-aminopropyl)-N' -methyl-1 ,3-propanediamine

データベース識別子

CAS
96087-37-5
PubChem CID
15949227
UNII
53LXX17EV4
Nikkaji
J1.388.009C

物性

構造計算による物性

XLogP
3.8
極性表面積
171 Ų
水素結合供与体数
4
水素結合受容体数
9
回転可能結合数
15
重原子数
37

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids.

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