N-methyl-N-(1,4,4-trimethyl-6-(5-(piperidine-1-carbonothioyl)thiophen-2-yl)-3,4-dihydro-1H-selenochromeno[3,2-g]quinolin-9(2H)-ylidene)methanaminium chloride

ID: ALA3342237

Chembl Id: CHEMBL3342237

PubChem CID: 118716353

Max Phase: Preclinical

Molecular Formula: C31H36ClN3S2Se

Molecular Weight: 593.74

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CN1CCC(C)(C)c2cc3c(-c4ccc(C(=S)N5CCCCC5)s4)c4ccc(=[N+](C)C)cc-4[se]c3cc21.[Cl-]

Standard InChI:  InChI=1S/C31H36N3S2Se.ClH/c1-31(2)13-16-33(5)24-19-28-22(18-23(24)31)29(21-10-9-20(32(3)4)17-27(21)37-28)25-11-12-26(36-25)30(35)34-14-7-6-8-15-34;/h9-12,17-19H,6-8,13-16H2,1-5H3;1H/q+1;/p-1

Standard InChI Key:  BNNKWSKTBZHAEN-UHFFFAOYSA-M

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: 593.74

Molecular Weight (Monoisotopic): 594.1510

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References

1. Hill JE, Linder MK, Davies KS, Sawada GA, Morgan J, Ohulchanskyy TY, Detty MR..  (2014)  Selenorhodamine photosensitizers for photodynamic therapy of P-glycoprotein-expressing cancer cells.,  57  (20): [PMID:25250825] [10.1021/jm501259v]

2. McIver ZA, Kryman MW, Choi Y, Coe BN, Schamerhorn GA, Linder MK, Davies KS, Hill JE, Sawada GA, Grayson JM, Detty MR..  (2016)  Selective photodepletion of malignant T cells in extracorporeal photopheresis with selenorhodamine photosensitizers.,  24  (17): [PMID:27301678] [10.1016/j.bmc.2016.05.071]

Source

Source(1):

• Scientific Literature