Name: Name:1H-Pyrido[3,4-b]indole-1-carboxylic acid, 2,3,4,9-tetrahydro-6-methoxy-
Brand: Angene
SKU: AG00271G
Rating: 90 (10 reviews)

1H-Pyrido[3,4-b]indole-1-carboxylic acid, 2,3,4,9-tetrahydro-6-methoxy-

CAS No.:

17952-63-5

Catalog Number:

AG00271G

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

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Purity

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Product Description

Catalog Number:

AG00271G

Chemical Name:

1H-Pyrido[3,4-b]indole-1-carboxylic acid, 2,3,4,9-tetrahydro-6-methoxy-

CAS Number:

17952-63-5

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

MDL Number:

MFCD00010826

IUPAC Name:

6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid

InChI:

InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)

InChI Key:

GHEBCEHFQAHKRP-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)c1CCNC(c1[nH]2)C(=O)O

Properties

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.266g/mol

Monoisotopic Mass:

246.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1

Literature

Title	Journal
Prospective acetylcholinesterase inhibitory activity of indole and its analogs.	Bioorganic & medicinal chemistry letters 20120415
Synthetic analogs of indole-containing natural products as inhibitors of sortase A and isocitrate lyase.	Bioorganic & medicinal chemistry letters 20101201
Novel tetrahydro-beta-carboline-1-carboxylic acids as inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2).	Bioorganic & medicinal chemistry letters 20070815

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