Di-1,11-dichloro-13-(3,4-dihydroxy-6-hydroxymethyl-5-methoxytetrahydro-2H-2-pyranyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

ID: ALA3350556

Chembl Id: CHEMBL3350556

PubChem CID: 118719000

Max Phase: Preclinical

Molecular Formula: C54H46Cl4N6O12

Molecular Weight: 1112.80

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)O[C@@H]1CO.CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)O[C@@H]1CO

Standard InChI:  InChI=1S/2C27H23Cl2N3O6/c1-37-25-15(9-33)38-27(24(35)23(25)34)32-21-11(5-3-7-14(21)29)16-12-8-30-26(36)18(12)17-10-4-2-6-13(28)19(10)31-20(17)22(16)32;1-37-25-15(9-33)38-27(24(35)23(25)34)32-21-11(5-3-7-14(21)29)17-18-12(8-30-26(18)36)16-10-4-2-6-13(28)19(10)31-20(16)22(17)32/h2*2-7,15,23-25,27,31,33-35H,8-9H2,1H3,(H,30,36)/t2*15-,23-,24-,25-,27-/m11/s1

Standard InChI Key:  PTBOLXNOYGZEMA-JTKXNMDASA-N

Alternative Forms

1. Parent:

   

   ALA3350556

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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: 1112.80

Molecular Weight (Monoisotopic): 1110.1928

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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