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CAM741

CAT: 0931-T70211-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70211-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
177586-74-2
Target
Others
Related Pathways
Others
Bioactivity
CAM741 is a novel selective inhibitor of vascular cell adhesion molecule 1 (VCAM1) synthesis in endothelial cells, blocking the process of cotranslational translocation, which is dependent on the signal peptide of VCAM1.
Smiles
C(C=1C=2C(N(OC)C1)=CC=CC2)[C@H]3C(=O)N[C@@H](C[C@@H](CCCC)C)C(=O)N(C)[C@@H](C)C(=O)O[C@H](CCC(OCCC)=O)C(=O)N[C@@H](C[C@@H](CCCC)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N3C
Molecular Formula
C56H91N7O11
Molecular Weight
1038.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propyl 3-((2R,5S,8S,11S,14S,17S,20S)-8,11-diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanoate
CAS Number177586-74-2
PubChem CID102353267
IUPAC Namepropyl 3-[(2R,5S,8S,11S,14S,17S,20S)-14-[(1-methoxyindol-3-yl)methyl]-7,13,19,20-tetramethyl-5,17-bis[(2R)-2-methylhexyl]-8,11-bis(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclohenicos-2-yl]propanoate
Molecular FormulaC56H91N7O11
Molecular Weight1038.4
XLogP10.7
Topological Polar Surface Area215
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Heavy Atom Count74
Formal Charge0
Complexity1830
SMILES
CCCC[C@@H](C)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1)CCC(=O)OCCC)C)C)C[C@H](C)CCCC)CC2=CN(C3=CC=CC=C32)OC)C)CC(C)C)CC(C)C)C
InChI
InChI=1S/C56H91N7O11/c1-15-18-22-37(8)31-43-53(68)60(11)39(10)56(71)74-48(26-27-49(64)73-28-17-3)52(67)59-44(32-38(9)23-19-16-2)55(70)61(12)46(30-36(6)7)50(65)57-42(29-35(4)5)54(69)62(13)47(51(66)58-43)33-40-34-63(72-14)45-25-21-20-24-41(40)45/h20-21,24-25,34-39,42-44,46-48H,15-19,22-23,26-33H2,1-14H3,(H,57,65)(H,58,66)(H,59,67)/t37-,38-,39+,42+,43+,44+,46+,47+,48-/m1/s1
InChIKey
VDFZHYIUDDBVPN-IVUNSTSTSA-N
Chemical Structure
2D Structure
2D structure of Propyl 3-((2R,5S,8S,11S,14S,17S,20S)-8,11-diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanoate
CAS: 177586-74-2
CID: 102353267
Formula: C56H91N7O11
MW: 1038.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1038.4
XLogP310.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Exact Mass1037.67765674
Monoisotopic Mass1037.67765674
Topological Polar Surface Area215 Ų
Heavy Atom Count74
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19031127-01CAM741

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