Name: Rivipansel
Rating: 5 (10 reviews)

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HIT ID:HIT212677899
Cas No:927881-99-0
常用名:Rivipansel
别名:PF-06460031, PF 06460031, GMI-1070, GMI1070, GMI 1070
别名:PF-06460031, PF 06460031, GMI-1070, GMI1070, GMI 1070
IUPAC:(2S)-2-{[(2R,3R,4S,5S,6R)-3-(benzoyloxy)-2-{[(1R,2R,3S,5R)-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-amido)-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-({2-[2-(2-{[(3,6,8-trisulfonaphthalen-1-yl)carbamoyl]methoxy}ethoxy)acetamido]ethyl}carbamoyl)cyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3-cyclohexylpropanoic acid
IUPAC:(2S)-2-{[(2R,3R,4S,5S,6R)-3-(benzoyloxy)-2-{[(1R,2R,3S,5R)-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-amido)-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-({2-[2-(2-{[(3,6,8-trisulfonaphthalen-1-yl)carbamoyl]methoxy}ethoxy)acetamido]ethyl}carbamoyl)cyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3-cyclohexylpropanoic acid
InChI key:VXBNTHRZPJLRSS-PTCSXESPSA-N

分子式:C58H74N6O31S3
分子量:1447.42
氢键供体数 (HBD):15
氢键受体数 (HBA):30
LogP:-8.824349
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@H](C[C@H](C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(O)=O)[C@H]2OC(=O)c2ccccc2)C(=O)NCCNC(=O)COCCOCC(=O)Nc2cc(cc3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)NC(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H](O)[C@H](O)[C@@H]1O
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@H](C[C@H](C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(O)=O)[C@H]2OC(=O)c2ccccc2)C(=O)NCCNC(=O)COCCOCC(=O)Nc2cc(cc3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)NC(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H](O)[C@H](O)[C@@H]1O

Rivipansel is a glycomimetic compound. It acts as a pan-selectin antagonist and reverses acute vascular occlusions in sickle cell mice.

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