N-(6-(diethylamino)-9-(2-(4-(2-((2-(3-(1-(4-(6-methoxypyridin-3-yl)benzyl)-1H-1,2,3-triazol-4-yl)phenylamino)-2-oxoethyl)disulfanyl)acetamido)butylcarbamoyl)phenyl)-3H-xanthen-3-ylidene)-N-ethylethanaminium

ID: ALA5180460

Chembl Id: CHEMBL5180460

PubChem CID: 168271381

Max Phase: Preclinical

Molecular Formula: C57H62N9O5S2+

Molecular Weight: 1017.31

Names and Identifiers

Canonical SMILES:  CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCCCCNC(=O)CSSCC(=O)Nc3cccc(-c4cn(Cc5ccc(-c6ccc(OC)nc6)cc5)nn4)c3)c3ccc(=[N+](CC)CC)cc-3oc2c1

Standard InChI:  InChI=1S/C57H61N9O5S2/c1-6-64(7-2)44-24-26-48-51(32-44)71-52-33-45(65(8-3)9-4)25-27-49(52)56(48)46-17-10-11-18-47(46)57(69)59-30-13-12-29-58-53(67)37-72-73-38-54(68)61-43-16-14-15-41(31-43)50-36-66(63-62-50)35-39-19-21-40(22-20-39)42-23-28-55(70-5)60-34-42/h10-11,14-28,31-34,36H,6-9,12-13,29-30,35,37-38H2,1-5H3,(H2-,58,59,61,67,68,69)/p+1

Standard InChI Key:  QXAHSNSFJXANDM-UHFFFAOYSA-O

Alternative Forms

1. Parent:

   

   ALA5180460

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1017.31

Molecular Weight (Monoisotopic): 1016.4310

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References

1. Wang J, Si R, Zhang Q, Pan X, Zhang J..  (2022)  Tumor-microenvironmental-response Bi-functional molecules for efficient imaging and anti-tumor activity therapy.,  230  [PMID:35051748] [10.1016/j.ejmech.2022.114120]

Source

Source(1):

• Scientific Literature