Name: TAT-cyclo-CLLFVY
Rating: 5 (10 reviews)

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HIT ID:HIT218852063
Cas No:1446322-66-2
常用名:TAT-cyclo-CLLFVY
IUPAC:(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2R)-2-amino-3-({[(2R,5S,8S,11S,17S)-11-benzyl-17-[(4-hydroxyphenyl)methyl]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-14-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]methyl}disulfanyl)propanamido]acetamido}-5-carbamimidamidopentanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid
IUPAC:(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2R)-2-amino-3-({[(2R,5S,8S,11S,17S)-11-benzyl-17-[(4-hydroxyphenyl)methyl]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-14-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]methyl}disulfanyl)propanamido]acetamido}-5-carbamimidamidopentanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid
InChI key:AWUUHEHYNQGEFC-VVBJSORGSA-N

分子式:C111H188N42O24S2
分子量:2559.12
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O)C(C)C
SMILES:CC(C)C[C@@H]1NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O)C(C)C

Selective HIF-1 dimerization inhibitor. Blocks protein-protein interaction of recombinant HIF-1α, but not HIF-2α, with HIF-1β (IC50 = 1.3 μM). Inhibits hypoxia-induced HIF-1 activity, and decreases VEGF and CAIX expression in osteosarcoma and breast cancer cells in vitro. Also reduces tubularization of hypoxic HUVECs.

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