Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: -
CAS No.: 9064-47-5
Molecular formula: -
Molecular weight: - g/mol
SMILES: -
Structural class:
Other identifiers:

Histone

Histone H1

Histone H1(s)

Histone H2a

Histone H2b

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 250mg BR 544 2-8℃ in stock -
Kehua Intelligence 1g BR 1920 2-8℃ in stock -
Kehua Intelligence 50mg BR 200 2-8℃ in stock -
Kehua Intelligence 250mg BR 840 2-8℃ in stock -
Kehua Intelligence 1g BR 3040 2-8℃ in stock -
Kehua Intelligence 250mg 纯化后冻干粉 800 2-8℃ in stock -
Kehua Intelligence 1g 纯化后冻干粉 2400 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[4-(5-methylpyridin-2-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[3-oxo-1-phenyl-4-(4-piperidin-1-ylphenyl)butan-2-yl]prop-2-enamide;4-[3-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-2-oxo-4-phenylbutyl]-N,N-dimethylbenzamide


4.2 InChI

InChI=1S/C31H31ClN6O2.C29H27ClN6O3.C28H23ClN6O2S.C27H24ClN5O2.C26H23ClN6O2/c32-26-12-15-29(38-22-33-35-36-38)25(21-26)11-16-31(40)34-28(19-23-7-3-1-4-8-23)30(39)20-24-9-13-27(14-10-24)37-17-5-2-6-18-37;1-35(2)29(39)22-10-8-21(9-11-22)17-27(37)25(16-20-6-4-3-5-7-20)32-28(38)15-12-23-18-24(30)13-14-26(23)36-19-31-33-34-36;1-18-7-10-22-26(13-18)38-28(32-22)16-25(36)23(14-19-5-3-2-4-6-19)31-27(37)12-8-20-15-21(29)9-11-24(20)35-17-30-33-34-35;1-19-7-9-21(10-8-19)16-26(34)24(15-20-5-3-2-4-6-20)30-27(35)14-11-22-17-23(28)12-13-25(22)33-18-29-31-32-33;1-18-7-10-22(28-16-18)15-25(34)23(13-19-5-3-2-4-6-19)30-26(35)12-8-20-14-21(27)9-11-24(20)33-17-29-31-32-33/h1,3-4,7-16,21-22,28H,2,5-6,17-20H2,(H,34,40);3-15,18-19,25H,16-17H2,1-2H3,(H,32,38);2-13,15,17,23H,14,16H2,1H3,(H,31,37);2-14,17-18,24H,15-16H2,1H3,(H,30,35);2-12,14,16-17,23H,13,15H2,1H3,(H,30,35)


4.3 InChIKey

FPVZEJZSOWQWOV-UHFFFAOYSA-N


4.4 Canonical SMILES

CC1=CC=C(C=C1)CC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=C(C=CC(=C3)Cl)N4C=NN=N4.CC1=CC2=C(C=C1)N=C(S2)CC(=O)C(CC3=CC=CC=C3)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5.CC1=CN=C(C=C1)CC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=C(C=CC(=C3)Cl)N4C=NN=N4.CN(C)C(=O)C1=CC=C(C=C1)CC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=C(C=CC(=C3)Cl)N4C=NN=N4.C1CCN(CC1)C2=CC=C(C=C2)CC(=O)C(CC3=CC=CC=C3)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

Coming soon

5.2 1H nuclear magnetic resonance (1H NMR)

Coming soon

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --