Name: MMP13-IN-2
Rating: 5 (10 reviews)

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HIT ID:HIT214324186
Cas No:935759-55-0
常用名:MMP13-IN-2
别名:MMP13-IN-2
IUPAC:5-(3-fluorophenyl)-4-oxo-N-({3-[2-(4H-1,2,4-triazol-3-yloxy)ethoxy]phenyl}methyl)-1H,4H-thieno[2,3-d]pyrimidine-2-carboxamide
IUPAC:5-(3-fluorophenyl)-4-oxo-N-({3-[2-(4H-1,2,4-triazol-3-yloxy)ethoxy]phenyl}methyl)-1H,4H-thieno[2,3-d]pyrimidine-2-carboxamide
InChI key:MLUCCAMJMIYYED-UHFFFAOYSA-N

分子式:C24H19FN6O4S
分子量:506.51
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Fc1cccc(c1)-c1csc2[nH]c(nc(=O)c12)C(=O)NCc1cccc(OCCOc2nnc[nH]2)c1
SMILES:Fc1cccc(c1)-c1csc2[nH]c(nc(=O)c12)C(=O)NCc1cccc(OCCOc2nnc[nH]2)c1

MMP13-IN-2 is a highly potent, selective, and orally active inhibitor of MMP-13. It demonstrates exceptional potency against MMP-13, with an IC50 value of 0.036 nM, and exhibits selectivities greater than 1,500-fold over MMP-1, 3, 7, 8, 9, 14, and TACE. Moreover, MMP13-IN-2 possesses the capability to effectively inhibit collagen release from cartilage in vitro. Consequently, MMP13-IN-2 holds great potential for advancing research on collagenase-related diseases.

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