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CT-08

CAT: 0931-TP3082-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3082-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1000770-96-6
Target
Others
Related Pathways
Others
Bioactivity
CT-08 (CT8, Compound 3) is a macrolide Sec61 modulator that inhibits protein secretion in a signal sequence-dependent manner. It prevents the Sec61-mediated translocation of VCAMss-GLuc to the ER, resulting in the loss of luciferase activity. Additionally, CT-08 suppresses the expression of VCAM in transfected cells.
Smiles
C([C@H]1C(=O)N[C@@H](C[C@@H](CCCC)C)C(=O)N(C)[C@@H](C)C(=O)O[C@H](CC#C)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)N1C)C2=CC=CC=C2
Molecular Formula
C50H80N6O8
Molecular Weight
893.206
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

cyclo[N(Me)Ala-D-OPra-Leu(4R-5-Pr)-N(Me)Leu-Leu-N(Me)Phe-Leu(4R-5-Pr)]
CAS Number1000770-96-6
PubChem CID139554877
IUPAC Name(3S,6S,9S,12S,15S,18S,21R)-9-benzyl-3,4,10,16-tetramethyl-6,18-bis[(2R)-2-methylhexyl]-12,15-bis(2-methylpropyl)-21-prop-2-ynyl-1-oxa-4,7,10,13,16,19-hexazacyclohenicosane-2,5,8,11,14,17,20-heptone
Molecular FormulaC50H80N6O8
Molecular Weight893.2
XLogP9.7
Topological Polar Surface Area175
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count64
Formal Charge0
Complexity1590
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)CC#C)C)C)C[C@H](C)CCCC)CC2=CC=CC=C2)C)CC(C)C)CC(C)C)C
InChI
InChI=1S/C50H80N6O8/c1-14-17-23-34(8)29-39-47(60)54(11)36(10)50(63)64-43(22-16-3)46(59)53-40(30-35(9)24-18-15-2)49(62)55(12)41(28-33(6)7)44(57)51-38(27-32(4)5)48(61)56(13)42(45(58)52-39)31-37-25-20-19-21-26-37/h3,19-21,25-26,32-36,38-43H,14-15,17-18,22-24,27-31H2,1-2,4-13H3,(H,51,57)(H,52,58)(H,53,59)/t34-,35-,36+,38+,39+,40+,41+,42+,43-/m1/s1
InChIKey
FKOWLFBDYYDNSC-ASFFCJJISA-N
Chemical Structure
2D Structure
2D structure of cyclo[N(Me)Ala-D-OPra-Leu(4R-5-Pr)-N(Me)Leu-Leu-N(Me)Phe-Leu(4R-5-Pr)]
CAS: 1000770-96-6
CID: 139554877
Formula: C50H80N6O8
MW: 893.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight893.2
XLogP39.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass892.60376353
Monoisotopic Mass892.60376353
Topological Polar Surface Area175 Ų
Heavy Atom Count64
Formal Charge0
Complexity1590
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