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Ko 143

CAT: 0607-A3533-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A3533-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BCRP inhibitor,potent and selective
CAS Number
461054-93-3
Product Name Alternative
tert-butyl 3-((3R,6S,12aR)-6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)propanoate
Sequence
Ko-143;Ko143
Field of Research
Others BCRP
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C1N2[C@@H](CC(C)C)C(NC3=C4C=CC(OC)=C3)=C4C[C@@H]2C(N[C@@H]1CCC(OC(C)(C)C)=O)=O
Molecular Formula
C26H35N3O5
Molecular Weight
469.59
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ko 143

LSM-6260 is a tert-butyl ester and a member of beta-carbolines.

CAS Number461054-93-3
PubChem CID10322450
IUPAC Nametert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
Molecular FormulaC26H35N3O5
Molecular Weight469.6
XLogP3.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity794
SMILES
CC(C)C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H](NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC
InChI
InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1
InChIKey
NXNRAECHCJZNRF-JBACZVJFSA-N
Chemical Structure
2D Structure
2D structure of Ko 143
CAS: 461054-93-3
CID: 10322450
Formula: C26H35N3O5
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass469.25767123
Monoisotopic Mass469.25767123
Topological Polar Surface Area101 Ų
Heavy Atom Count34
Formal Charge0
Complexity794
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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