凝血酶 - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

Dabigatran (BIBR 953),达比加群

规格或纯度 :

≥98%

CAS号: 211914-51-1

分子式: C₂₅H₂₅N₇O₃ 分子量: 471.51

IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid

SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChIKey: YBSJFWOBGCMAKL-UHFFFAOYSA-N

InChI: 1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)

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肝素锂

规格或纯度 :

~200 units/mg

CAS号: 9045-22-1

分子式: (C₁₄H₂₅NO₂₀S₃)n.xLi

IUPAC Name: 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid

InChIKey: HXSDFQWQRCUQHF-UHFFFAOYSA-N

InChI: 1S/C14H25NO20S3/c1-29-9-7(17)10(35-38(26,27)28)14(34-11(9)12(18)19)33-8-4(3-31-37(23,24)25)32-13(30-2)5(6(8)16)15-36(20,21)22/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)

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Dabigatran ethyl ester

规格或纯度 :

Moligand™

≥98%

CAS号: 429658-95-7 Compound CID : 446804

分子式: C₂₇H₂₉N₇O₃ 分子量: 499.58

IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

SMILES: CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChIKey: BGLLICFSSKPUMR-UHFFFAOYSA-N

InChI: 1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)

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Thrombin Inhibitor 2

规格或纯度 :

Moligand™

≥99%

CAS号: 312904-62-4 Compound CID : 9955534

分子式: C₁₉H₁₆ClF₃N₆O₂ 分子量: 452.82

IUPAC Name: 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoropyridin-2-yl)methyl]acetamide

SMILES: C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)F

InChIKey: AATHXZYXWMKUFC-UHFFFAOYSA-N

InChI: 1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)

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肝素钠盐

规格或纯度 :

≥99%
≥150(units/mg)，来源于牛小肠黏膜

CAS号: 9041-08-1 Compound CID : 118989588

IUPAC Name: sodium;2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanolate

SMILES: C1N(CN(CN1CCO)CC[O-])CCO.[Na+]

InChIKey: YOMTXLQWRQUKAK-UHFFFAOYSA-N

InChI: 1S/C9H20N3O3.Na/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15;/h13-14H,1-9H2;/q-1;+1

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肝素钠盐

规格或纯度 :

≥99%
≥150(units/mg),来源于羊肠粘膜

CAS号: 9041-08-1 Compound CID : 118989588

IUPAC Name: sodium;2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanolate

SMILES: C1N(CN(CN1CCO)CC[O-])CCO.[Na+]

InChIKey: YOMTXLQWRQUKAK-UHFFFAOYSA-N

InChI: 1S/C9H20N3O3.Na/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15;/h13-14H,1-9H2;/q-1;+1

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低分子肝素

规格或纯度 :

≥95%(HPLC)
分子量：2,000-3,000

CAS号: 9041-08-1 Compound CID : 118989588

IUPAC Name: sodium;2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanolate

SMILES: C1N(CN(CN1CCO)CC[O-])CCO.[Na+]

InChIKey: YOMTXLQWRQUKAK-UHFFFAOYSA-N

InChI: 1S/C9H20N3O3.Na/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15;/h13-14H,1-9H2;/q-1;+1

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低分子肝素

规格或纯度 :

≥95%(HPLC)
分子量：3,000-5,000

CAS号: 9041-08-1 Compound CID : 118989588

IUPAC Name: sodium;2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanolate

SMILES: C1N(CN(CN1CCO)CC[O-])CCO.[Na+]

InChIKey: YOMTXLQWRQUKAK-UHFFFAOYSA-N

InChI: 1S/C9H20N3O3.Na/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15;/h13-14H,1-9H2;/q-1;+1

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低分子肝素

规格或纯度 :

≥95%(HPLC)
分子量：5,000-8,000

CAS号: 9041-08-1 Compound CID : 118989588

IUPAC Name: sodium;2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanolate

SMILES: C1N(CN(CN1CCO)CC[O-])CCO.[Na+]

InChIKey: YOMTXLQWRQUKAK-UHFFFAOYSA-N

InChI: 1S/C9H20N3O3.Na/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15;/h13-14H,1-9H2;/q-1;+1

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低分子硫酸皮肤素

规格或纯度 :

≥95%(HPLC)
分子量：3,000-5,000

CAS号: 54328-33-5

IUPAC Name: (2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

SMILES: CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])O)O)O

InChIKey: AVJBPWGFOQAPRH-FWMKGIEWSA-L

InChI: 1S/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/p-2/t4-,5-,6+,7+,8-,9+,10-,11-,See more

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低分子硫酸皮肤素

规格或纯度 :

≥95%(HPLC)
分子量：5,000-8,000

CAS号: 54328-33-5

IUPAC Name: (2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

SMILES: CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])O)O)O

InChIKey: AVJBPWGFOQAPRH-FWMKGIEWSA-L

InChI: 1S/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/p-2/t4-,5-,6+,7+,8-,9+,10-,11-,See more

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低分子硫酸皮肤素

规格或纯度 :

≥95%(HPLC)
分子量：8,000-13,000

CAS号: 54328-33-5

IUPAC Name: (2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

SMILES: CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])O)O)O

InChIKey: AVJBPWGFOQAPRH-FWMKGIEWSA-L

InChI: 1S/C14H23NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/p-2/t4-,5-,6+,7+,8-,9+,10-,11-,See more

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