Di-12-(3,4-dihydroxy-6-hydroxymethyl-5-methoxytetrahydro-2H-2-pyranyl)-6-methyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

ID: ALA3350561

Chembl Id: CHEMBL3350561

PubChem CID: 118719002

Max Phase: Preclinical

Molecular Formula: C56H54N6O12

Molecular Weight: 1003.08

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4)O[C@@H]1CO.CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CN(C)C4=O)O[C@@H]1CO

Standard InChI:  InChI=1S/2C28H27N3O6/c1-30-11-15-19-14-8-4-6-10-17(14)31(28-25(34)24(33)26(36-2)18(12-32)37-28)23(19)22-20(21(15)27(30)35)13-7-3-5-9-16(13)29-22;1-30-11-15-19-13-7-3-5-9-16(13)29-22(19)23-20(21(15)27(30)35)14-8-4-6-10-17(14)31(23)28-25(34)24(33)26(36-2)18(12-32)37-28/h2*3-10,18,24-26,28-29,32-34H,11-12H2,1-2H3/t2*18-,24-,25-,26-,28-/m11/s1

Standard InChI Key:  XMOJOLAFVUGVHB-JUEDMPSWSA-N

Alternative Forms

1. Parent:

   

   ALA3350561

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1003.08

Molecular Weight (Monoisotopic): 1002.3800

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References

1. Moreau P, Anizon F, Sancelme M, Prudhomme M, Bailly C, Carrasco C, Ollier M, Sevère D, Riou JF, Fabbro D, Meyer T, Aubertin AM..  (1998)  Syntheses and biological evaluation of indolocarbazoles, analogues of rebeccamycin, modified at the imide heterocycle.,  41  (10): [PMID:9572888] [10.1021/jm970843+]

Source

Source(1):

• Scientific Literature