配体家族 - 小分子和化合物库

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吗氯贝胺
- ≥98%
CAS号: 71320-77-9 EC号: MFCD00865388

分子式: C₁₃H₁₇ClN₂O₂ 分子量: 268.74

IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamide

SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl

InChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-N

InChI: 1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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甲磺酸雷沙吉兰
- ≥99%
CAS号: 161735-79-1 Compound CID : 3052775

分子式: C₁₂H₁₃N·CH₄O₃S 分子量: 267.34

IUPAC Name: methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

SMILES: CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12

InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-N

InChI: 1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
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UCN-01,PKC抑制剂
- ≥95%(HPLC)
CAS号: 112953-11-4 Compound CID : 72271

分子式: C₂₈H₂₆N₄O₄ 分子量: 482.53

IUPAC Name: (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC

InChIKey: PBCZSGKMGDDXIJ-HQCWYSJUSA-N

InChI: 1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-See more
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Dinaciclib (SCH727965),新型CDK抑制剂
- ≥98%
CAS号: 779353-01-4

分子式: C₂₁H₂₈N₆O₂ 分子量: 396.49

IUPAC Name: 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol

SMILES: CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCCC4CCO

InChIKey: PIMQWRZWLQKKBJ-SFHVURJKSA-N

InChI: 1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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三甲沙林(Trioxsalen)
- ≥98%(HPLC)
CAS号: 3902-71-4 Compound CID : 5585

分子式: C₁₄H₁₂O₃ 分子量: 228.25

IUPAC Name: 2,5,9-trimethylfuro[3,2-g]chromen-7-one

SMILES: CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C

InChIKey: FMHHVULEAZTJMA-UHFFFAOYSA-N

InChI: 1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
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丁卡因
- ≥98%(GC)
CAS号: 94-24-6 Compound CID : 5411

分子式: C₁₅H₂₄N₂O₂ 分子量: 264.37

IUPAC Name: 2-(dimethylamino)ethyl 4-(butylamino)benzoate

SMILES: CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C

InChIKey: GKCBAIGFKIBETG-UHFFFAOYSA-N

InChI: 1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
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NU6102,抗增殖剂
- ≥98%
CAS号: 444722-95-6

分子式: C₁₈H₂₂N₆O₃S 分子量: 402.47

IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide

SMILES: C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N

InChIKey: OWXORKPNCHJYOF-UHFFFAOYSA-N

InChI: 1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
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THAL SNS 032,Cdk9降解PROTAC
- ≥98%(HPLC)
CAS号: 2139287-33-3 Compound CID : 131801483

分子式: C₄₀H₅₂N₈O₁₀S₂ 分子量: 869.02

IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidineSee more

SMILES: CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

InChIKey: BXDZOYLPNAIDOC-UHFFFAOYSA-N

InChI: 1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36See more
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萘丁美酮
- ≥98%
CAS号: 42924-53-8

分子式: C₁₅H₁₆O₂ 分子量: 228.29

IUPAC Name: 4-(6-methoxynaphthalen-2-yl)butan-2-one

SMILES: CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC

InChIKey: BLXXJMDCKKHMKV-UHFFFAOYSA-N

InChI: 1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
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THAL SNS 032
- 10mM in DMSO
CAS号: 2139287-33-3 Compound CID : 131801483

分子式: C₄₀H₅₂N₈O₁₀S₂ 分子量: 869.02

IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidineSee more

SMILES: CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

InChIKey: BXDZOYLPNAIDOC-UHFFFAOYSA-N

InChI: 1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36See more
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(R)-CR8
CAS号: 294646-77-8

分子式: C₂₄H₂₉N₇O 分子量: 431.53

IUPAC Name: (2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol

SMILES: CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4

InChIKey: HOCBJBNQIQQQGT-LJQANCHMSA-N

InChI: 1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1
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