5,15-Bis(4-(beta-D-glucopyranosylthio)-2,3,5,6-tetrafluorophenyl)-10,20-bis(pentafluorophenyl)-2,3-(methano(N-methyl)-iminomethano)chlorin

ID: ALA3735275

Chembl Id: CHEMBL3735275

PubChem CID: 137189875

Max Phase: Preclinical

Molecular Formula: C59H39F18N5O10S2

Molecular Weight: 1384.08

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CN1CC2C3=N/C(=C(/c4c(F)c(F)c(S[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(F)c4F)C4=N/C(=C(/c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)/C(c5c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(F)c5F)=C5/C=CC(=N5)C3c3c(F)c(F)c(F)c(F)c3F)C=C4)C2C1

Standard InChI:  InChI=1S/C59H39F18N5O10S2/c1-82-8-12-13(9-82)49-25(29-36(66)46(76)57(47(77)37(29)67)94-59-55(90)53(88)51(86)21(11-84)92-59)19-7-4-16(79-19)22(26-30(60)38(68)42(72)39(69)31(26)61)14-2-3-15(78-14)23(17-5-6-18(80-17)24(48(12)81-49)28-32(62)40(70)43(73)41(71)33(28)63)27-34(64)44(74)56(45(75)35(27)65)93-58-54(89)52(87)50(85)20(10-83)91-58/h2-7,12-13,20-21,24,50-55,58-59,78,83-90H,8-11H2,1H3/b22-16+,23-17+,49-25-/t12?,13?,20-,21-,24?,50-,51-,52+,53+,54-,55-,58+,59+/m1/s1

Standard InChI Key:  XLZXJTFDRJWXSX-DWYRHHKFSA-N

Alternative Forms

1. Parent:

   

   ALA3735275

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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: 1384.08

Molecular Weight (Monoisotopic): 1383.1851

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References

1. Hirohara S, Oka C, Totani M, Obata M, Yuasa J, Ito H, Tamura M, Matsui H, Kakiuchi K, Kawai T, Kawaichi M, Tanihara M..  (2015)  Synthesis, Photophysical Properties, and Biological Evaluation of trans-Bisthioglycosylated Tetrakis(fluorophenyl)chlorin for Photodynamic Therapy.,  58  (21): [PMID:26457363] [10.1021/acs.jmedchem.5b01262]

Source

Source(1):

• Scientific Literature