小分子和化合物库

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显示第112个,产品总数64

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  1. Y-33075,ROCK 抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 199433-58-4        Compound CID : 9810884
    分子式: C16H16N4O        分子量: 280.33
    IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
    SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N
    InChIKey: JTVBXQAYBIJXRP-SNVBAGLBSA-N
    InChI: InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
  2. H-1152,ROCK 抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 451462-58-1        Compound CID : 448043
    分子式: C16H21N3O2S        分子量: 319.42
    IUPAC Name: 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
    SMILES: CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C
    InChIKey: AWDORCFLUJZUQS-ZDUSSCGKSA-N
    InChI: InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
  3. AT13148
      规格或纯度 :
    • ≥98%
    CAS号 : 1056901-62-2        Compound CID : 24905401
    分子式: C17H16ClN3O        分子量: 313.78
    IUPAC Name: (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol
    SMILES: C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O
    InChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-N
    InChI: InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
  4. 盐酸奈他地尔(AR-13324)
      规格或纯度 :
    • ≥98%
    CAS号 : 1253952-02-1        Compound CID : 66599892
    分子式: C28H27N3O3.2HCl        分子量: 526.45
    IUPAC Name: [4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;dihydrochloride
    SMILES: CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.Cl.Cl
    InChIKey: LDKTYVXXYUJVJM-FBHGDYMESA-N
    InChI: InChI=1S/C28H27N3O3.2ClH/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;;/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H/t26-;;/m1../s1
  5. AT13148
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1056901-62-2        Compound CID : 24905401
    分子式: C17H16ClN3O        分子量: 313.78
    IUPAC Name: (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol
    SMILES: C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O
    InChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-N
    InChI: InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
  6. Benzamide, 4-((1R)-1-aminoethyl)-N-1H-pyrrolo(2,3-b)pyridin-4-yl-, hydrochloride (1:1)
    CAS号 : 471843-75-1        Compound CID : 11507964
    分子式: C16H17ClN4O        分子量: 316.78
    IUPAC Name: 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;hydrochloride
    SMILES: CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N.Cl
    InChIKey: IILQESWQPZIAGP-HNCPQSOCSA-N
    InChI: InChI=1S/C16H16N4O.ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;/h2-10H,17H2,1H3,(H2,18,19,20,21);1H/t10-;/m1./s1
  7. RKI-1447,ROCK1和ROCK2抑制剂
    CAS号 : 1342278-01-6        Compound CID : 60138149
    分子式: C16H14N4O2S        分子量: 326.37
    IUPAC Name: 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
    SMILES: C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3
    InChIKey: GDVRVPIXWXOKQO-UHFFFAOYSA-N
    InChI: InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)
  8. 星形孢菌素
    CAS号 : 62996-74-1        Compound CID : 44259
    分子式: C28H26N4O3        分子量: 466.53
    IUPAC Name: (2S,3R,4R,6R)-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)CNC6=O)NC)OC
    InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N
    InChI: InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
  9. KD025(SLx-2119),ROCK2抑制剂
    CAS号 : 911417-87-3        Compound CID : 11950170
    分子式: C26H24N6O2        分子量: 452.51
    IUPAC Name: 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
    SMILES: CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5
    InChIKey: GKHIVNAUVKXIIY-UHFFFAOYSA-N
    InChI: InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)
  10. 钙离子载体 A23187
      规格或纯度 :
    • ≥97%
    CAS号 : 52665-69-7        Compound CID : 11957499
    分子式: C29H37N3O6        分子量: 523.62
    IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
    SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
    InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N
    InChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
  11. 法舒地尔
    CAS号 : 103745-39-7        Compound CID : 3547
    分子式: C14H17N3O2S        分子量: 291.37
    IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline
    SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
    InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N
    InChI: InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
  12. H-89
    CAS号 : 127243-85-0       
    分子式: C20H20BrN3O2S        分子量: 446.36
    IUPAC Name: N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
    SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Br
    InChIKey: ZKZXNDJNWUTGDK-NSCUHMNNSA-N
    InChI: InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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