 Home > Encyclopedia > (3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoicacid1,1-dimethylethylester

(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoicacid1,1-dimethylethylester

(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoicacid1,1-dimethylethylester structure

CAS No:
461054-93-3
Formula:
C26H35N3O5
Chemical Name:
(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoicacid1,1-dimethylethylester
Synonyms:
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid, 1,2,3,4,6,7,12,12a-octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxo-, 1,1-dimethylethyl ester, (3S,6S,12aS)-(Ko143);Ko 143;(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid 1,1-dimethylethyl ester;12a-octahydro-9-Methoxy-6-(2-Methylpropyl)-1;12aS)-;4-b]indole-3-propanoicacid;4-dioxo-;6]pyrido[3

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Description

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

(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoicacid1,1-dimethylethylester Basic Attributes

Molecular Weight：

469.57

Exact Mass：

469.25767123

DSSTox ID：

DTXSID30438079

Characteristics

PSA：

100.73000

XLogP3：

3.90400

Density：

1.24

Melting Point：

147 ºC

Boiling Point：

689.8±55.0 °C(Predicted)

Flash Point：

371ºC

Refractive Index：

1.597

PKA：

13.31±0.60

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

Drug Information

MeSH Entry Terms：

3-(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)propionic acid tert-butyl ester

(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoicacid1,1-dimethylethylester Use and Manufacturing

A potent BCRP (breast cancer resistance protein) inhibitor

Computed Properties

Molecular Weight:469.6
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:469.25767123
Monoisotopic Mass:469.25767123
Topological Polar Surface Area:101
Heavy Atom Count:34
Complexity:794
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ko 143

CAS No.: 461054-93-3

Content: 0.98%

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Guide of (3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoicacid1,1-dimethylethylester

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Basic Attributes
Characteristics
Safety Information
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Use and Manufacturing
Computed Properties
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