Name: Name:1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
Brand: Angene
SKU: AG000NHI
Rating: 90 (10 reviews)

1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-

CAS No.:

125313-92-0

Catalog Number:

AG000NHI

Molecular Formula:

C22H16N4O4

Molecular Weight:

400.3868

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Purity

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Product Description

Catalog Number:

AG000NHI

Chemical Name:

1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-

CAS Number:

125313-92-0

Molecular Formula:

C22H16N4O4

Molecular Weight:

400.3868

MDL Number:

MFCD28122814

IUPAC Name:

3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione

InChI:

InChI=1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28)

InChI Key:

OVSKGTONMLKNPZ-UHFFFAOYSA-N

SMILES:

O=C1NC(=O)C(=C1c1cn(c2c1ccc(c2)[N+](=O)[O-])C)c1cn(c2c1cccc2)C

UNII:

DNZ11VPY7Q

Properties

Complexity:

805

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

400.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

400.394g/mol

Monoisotopic Mass:

400.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
A phase 2 study of oral MKC-1, an inhibitor of importin-β, tubulin, and the mTOR pathway in patients with unresectable or metastatic pancreatic cancer.	Investigational new drugs 20120801
The first design and synthesis of [11C]MKC-1 ([11C]Ro 31-7453), a new potential PET cancer imaging agent.	Nuclear medicine and biology 20101001
A phase I clinical and pharmacokinetic study of Ro 31-7453 given as a 7- or 14-day oral twice daily schedule every 4 weeks in patients with solid tumors.	Clinical cancer research : an official journal of the American Association for Cancer Research 20040701

Properties