8-(2,3,4,5-tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoyloxy)octanoic acid

ID: ALA4288199

Chembl Id: CHEMBL4288199

PubChem CID: 145991616

Max Phase: Preclinical

Molecular Formula: C28H18Cl4I4O7

Molecular Weight: 1115.87

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(O)CCCCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12

Standard InChI:  InChI=1S/C28H18Cl4I4O7/c29-18-16(17(19(30)21(32)20(18)31)28(41)42-7-5-3-1-2-4-6-14(37)38)15-10-8-12(33)24(39)22(35)26(10)43-27-11(15)9-13(34)25(40)23(27)36/h8-9,39H,1-7H2,(H,37,38)

Standard InChI Key:  SLWPVSJVOXUYAK-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4288199

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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: 1115.87

Molecular Weight (Monoisotopic): 1113.5986

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References

1. Chen HJ, Zhou XB, Wang AL, Zheng BY, Yeh CK, Huang JD..  (2018)  Synthesis and biological characterization of novel rose bengal derivatives with improved amphiphilicity for sono-photodynamic therapy.,  145  [PMID:29324346] [10.1016/j.ejmech.2017.12.091]

2. Dhillon SK, Porter SL, Rizk N, Sheng Y, McKaig T, Burnett K, White B, Nesbitt H, Matin RN, McHale AP, Callan B, Callan JF..  (2020)  Rose Bengal-Amphiphilic Peptide Conjugate for Enhanced Photodynamic Therapy of Malignant Melanoma.,  63  (3): [PMID:31940202] [10.1021/acs.jmedchem.9b01802]

Source

Source(1):

• Scientific Literature