BGC > Product Search > Bio 1211 | 187735-94-0

Molecular Formula: C36H48N6O9

Description :
BIO 1211 is a selective and high affinity integrin α4β1 (Very Late Antigen 4; VLA-4) inhibitor with 200-fold selectivity for the activated form of α4β1 (KD = 70 pM; IC50 = 0.004 μM).

• Molecular Weight :708.8
• Boiling Point :962.2±65.0°C(Predicted)
• Purity :> 98%

Molecular Formula :
C36H48N6O9
Canonical SMILES :
CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O
InChI :
InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
InChIKey :
NVVGCQABIHSJSQ-KFZSMJGVSA-N
Appearance :
White Lyophilized Solid
Storage : Store at -20°C
Synonyms :
BIO-1211; BIO1211

More details are to be found here

Description :
BIO 1211 is a selective and high affinity integrin α4β1 (Very Late Antigen 4; VLA-4) inhibitor with 200-fold selectivity for the activated form of α4β1 (KD = 70 pM; IC50 = 0.004 μM).

• Molecular Weight :708.8
• Boiling Point :962.2±65.0°C(Predicted)
• Purity :> 98%

Molecular Formula :
C36H48N6O9
Canonical SMILES :
CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O
InChI :
InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
InChIKey :
NVVGCQABIHSJSQ-KFZSMJGVSA-N
Appearance :
White Lyophilized Solid
Storage : Store at -20°C
Synonyms :
BIO-1211; BIO1211

More details are to be found here