Name: Siomycin A
Rating: 5 (10 reviews)

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HIT ID:HIT214315010
Cas No:12656-09-6
常用名:Siomycin A
别名:盐霉素 A
IUPAC:N-(1-carbamoyleth-1-en-1-yl)-2-({2-[(1R,15S,18S,25S,26R,35R,37S,46S,53S,59R)-18-[(2S,3R)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-60-[(1S)-1-hydroxyethyl]-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-(propan-2-yl)-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.2^{29,32}.1^{2,5}.1^{12,15}.1^{19,22}.1^{31,35}.1^{54,57}.0^{1,53}]tetrahexaconta-2(64),4,12(63),19(62),21,29,31,33,51,54,57,60-dodecaen-51-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide
IUPAC:N-(1-carbamoyleth-1-en-1-yl)-2-({2-[(1R,15S,18S,25S,26R,35R,37S,46S,53S,59R)-18-[(2S,3R)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-60-[(1S)-1-hydroxyethyl]-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-(propan-2-yl)-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.2^{29,32}.1^{2,5}.1^{12,15}.1^{19,22}.1^{31,35}.1^{54,57}.0^{1,53}]tetrahexaconta-2(64),4,12(63),19(62),21,29,31,33,51,54,57,60-dodecaen-51-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamide
InChI key:AKFVOKPQHFBYCA-YLZADYEOSA-N

分子式:C71H81N19O18S5
分子量:1648.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSC(=N1)C(NC(=O)C(NC(=O)c1csc(n1)[C@@]13CCC(=N[C@]1([H])c1csc(n1)[C@@]([H])(NC(=O)c1csc(n1)[C@@]([H])(NC2=O)[C@](C)(O)[C@@H](C)O)[C@@H](C)OC(=O)c1cc([C@H](C)O)c2C=C[C@@H](N[C@@H](C(C)C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N3)[C@@]([H])(O)c2n1)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=CC |c:4,24,70|
SMILES:[H][C@]12CSC(=N1)C(NC(=O)C(NC(=O)c1csc(n1)[C@@]13CCC(=N[C@]1([H])c1csc(n1)[C@@]([H])(NC(=O)c1csc(n1)[C@@]([H])(NC2=O)[C@](C)(O)[C@@H](C)O)[C@@H](C)OC(=O)c1cc([C@H](C)O)c2C=C[C@@H](N[C@@H](C(C)C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N3)[C@@]([H])(O)c2n1)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=CC |c:4,24,70|

Siomycin A is a thiopeptide antibiotic that selectively inhibits Forkhead box M1 (FOXM1) without affecting other Forkhead box family members, exhibiting anti-tumor properties and promoting apoptosis.

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