按“信号通路”分类 - 小分子和化合物库

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17-AAG,HSP90抑制剂
- ≥98%
CAS号: 75747-14-7

分子式: C₃₁H₄₃N₃O₈ 分子量: 585.69

IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC

InChIKey: AYUNIORJHRXIBJ-TXHRRWQRSA-N

InChI: 1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(HSee more
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二苯基硼酸-2-氨基乙酯
- ≥98%
CAS号: 524-95-8 EC号: 208-366-5

分子式: C₁₄H₁₆BNO 分子量: 225.09

IUPAC Name: 2-diphenylboranyloxyethanamine

SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN

InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N

InChI: 1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
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阿螺旋霉素
- ≥98%
CAS号: 467214-20-6

分子式: C₃₂H₄₈N₄O₈ 分子量: 616.75

IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC

InChIKey: KUFRQPKVAWMTJO-LMZWQJSESA-N

InChI: 1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,4See more
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甲基泼尼松龙标准溶液
- 100 ng/ul in Acetonitrile
CAS号: 83-43-2 EC号: 201-476-4

分子式: C₂₂H₃₀O₅ 分子量: 374.47

IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O

InChIKey: VHRSUDSXCMQTMA-PJHHCJLFSA-N

InChI: 1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
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NVP-AUY922
- ≥98%
CAS号: 747412-49-3

分子式: C₂₆H₃₁N₃O₅ 分子量: 465.54

IUPAC Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

SMILES: CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C

InChIKey: NDAZATDQFDPQBD-UHFFFAOYSA-N

InChI: 1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)
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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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PU-H71,Hsp90抑制剂
- ≥98%
CAS号: 873436-91-0

分子式: C₁₈H₂₁IN₆O₂S 分子量: 512.37

IUPAC Name: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine

SMILES: CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N

InChIKey: SUPVGFZUWFMATN-UHFFFAOYSA-N

InChI: 1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
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槲皮素
- ≥98.5%
CAS号: 117-39-5 EC号: 204-187-1

分子式: C₁₅H₁₀O₇ 分子量: 302.24

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

InChI: 1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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槲皮素
- ≥95%
CAS号: 117-39-5 EC号: 204-187-1

分子式: C₁₅H₁₀O₇ 分子量: 302.24

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

InChI: 1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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根赤壳菌素
- ≥98%
CAS号: 12772-57-5 Compound CID : 6323491

分子式: C₁₈H₁₇ClO₆ 分子量: 364.78

IUPAC Name: (4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

SMILES: CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1

InChIKey: WYZWZEOGROVVHK-GTMNPGAYSA-N

InChI: 1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
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