按“信号通路”分类 - 小分子和化合物库

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5-氮杂-2'-脱氧胞苷
- ≥98%
CAS号: 2353-33-5 EC号: 219-089-4

分子式: C₈H₁₂N₄O₄ 分子量: 228.21

IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

SMILES: C1C(C(OC1N2C=NC(=NC2=O)N)CO)O

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

InChI: 1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
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米非司酮
- ≥98%
CAS号: 84371-65-3

分子式: C₂₉H₃₅NO₂ 分子量: 429.59

IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O

InChIKey: VKHAHZOOUSRJNA-GCNJZUOMSA-N

InChI: 1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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醋酸甲羟孕酮
- ≥98%
CAS号: 71-58-9 EC号: 200-757-9

分子式: C₂₄H₃₄O₄ 分子量: 386.52

IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C

InChIKey: PSGAAPLEWMOORI-PEINSRQWSA-N

InChI: 1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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炔诺酮
- ≥98%
CAS号: 68-22-4 EC号: 200-681-6

分子式: C₂₀H₂₆O₂ 分子量: 298.42

IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34

InChIKey: VIKNJXKGJWUCNN-XGXHKTLJSA-N

InChI: 1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
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黄体酮
- ≥98%
CAS号: 57-83-0 EC号: 200-350-6

分子式: C₂₁H₃₀O₂ 分子量: 314.47

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

InChI: 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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黄体酮
CAS号: 57-83-0 EC号: 200-350-6

分子式: C₂₁H₃₀O₂ 分子量: 314.47

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

InChI: 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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甲醇中黄体酮溶液标准物质
- 1.00mg/ml
CAS号: 57-83-0 EC号: 200-350-6

分子式: C₂₁H₃₀O₂ 分子量: 314.47

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

InChI: 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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RG108,新型非核苷DNA甲基转移酶抑制剂（DNMT）
- ≥98%
CAS号: 48208-26-0 Compound CID : 702558

分子式: C₁₉H₁₄N₂O₄ 分子量: 334.33

IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid

SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O

InChIKey: HPTXLHAHLXOAKV-INIZCTEOSA-N

InChI: 1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)/t16-/m0/s1
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S-(5’-腺苷)-L-高半胱氨酸（SAH）
- ≥98%
CAS号: 979-92-0 EC号: 213-560-8 Compound CID : 439155

分子式: C₁₄H₂₀N₆O₅S 分子量: 384.41

IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N

InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N

InChI: 1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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Tanaproget,非甾体孕酮受体激动剂
- ≥99%
CAS号: 304853-42-7 Compound CID : 4369524

分子式: C₁₆H₁₅N₃OS 分子量: 297.37

IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile

SMILES: CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C

InChIKey: PYVFWTPEBMRKSR-UHFFFAOYSA-N

InChI: 1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
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D-(-)-炔诺孕酮
- ≥99%
CAS号: 797-63-7 EC号: 212-349-8

分子式: C₂₁H₂₈O₂ 分子量: 312.45

IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34

InChIKey: WWYNJERNGUHSAO-XUDSTZEESA-N

InChI: 1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
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(-)-表没食子儿茶素没食子酸酯
CAS号: 989-51-5

分子式: C₂₂H₁₈O₁₁ 分子量: 458.37

IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

InChI: 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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