Name: Rotigaptide
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212673068
Cas No:355151-12-1
常用名:Rotigaptide
别名:ZP123
IUPAC:(2R)-N-(carbamoylmethyl)-2-(2-{[(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)propanamide
IUPAC:(2R)-N-(carbamoylmethyl)-2-(2-{[(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)propanamide
InChI key:GFJRASPBQLDRRY-TWTQBQJDSA-N

分子式:C28H39N7O9
分子量:617.66
氢键供体数 (HBD):7
氢键受体数 (HBA):9
LogP:-4.636536
SMILES:C[C@@H](NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NCC(N)=O
SMILES:C[C@@H](NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NCC(N)=O

Rotigaptide is a novel and specific modulator of Cx43 and is a potent AAP. Rotigaptide prevents the uncoupling of Cx43-mediated gap junction communication and normalizes cell-to-cell communication during acute metabolic stress.

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