≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
DC1Sme, a DC1 derivative, exhibits IC 50 values of 22 pM, 10 pM, 32 pM and 250 pM for Ramos, Namalwa, HL60/s and COLO 205 cancer cells, respectively. DC1, an analogue of the minor groove-binding DNA alkylator CC-1065, is a ADC Cytotoxin . DC1 can be used in synthesis of antibody-drug conjugates for the targeted treatment of cancer .
Form:Solid
IC50& Target:Duocarmycins
| Canonical Smiles | CSSCCC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C5C=C(C7=CC=CC=C76)O)CCl |
|---|---|
| IUPAC Name | N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-[3-(methyldisulfanyl)propanoylamino]-1H-indole-2-carboxamide |
| InChIKey | TVEHPTDUSKNJAT-OAQYLSRUSA-N |
| INCHI | 1S/C35H30ClN5O4S2/c1-46-47-11-10-32(43)37-22-6-8-26-19(12-22)14-28(39-26)34(44)38-23-7-9-27-20(13-23)15-29(40-27)35(45)41-18-21(17-36)33-25-5-3-2-4-24(25)31(42)16-30(33)41/h2-9,12-16,21,39-40,42H,10-11,17-18H2,1H3,(H,37,43)(H,38,44)/t21-/m1/s1 |
| Isomeric SMILES | CSSCCC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5C[C@H](C6=C5C=C(C7=CC=CC=C76)O)CCl |
| PubChem CID | 10327248 |
| Molecular Weight | 684.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxamides and derivatives |
| Alternative Parents | Naphthols and derivatives Indoles 2-heteroaryl carboxamides N-arylamides Pyrrole carboxamides 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Dialkyldisulfides Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxamide derivative - 1-naphthol - Naphthalene - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - N-arylamide - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Dialkyldisulfide - Secondary carboxylic acid amide - Carboxamide group - Organic disulfide - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Alkyl chloride - Organosulfur compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 684.200 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 683.143 Da |
| Monoisotopic Mass | 683.143 Da |
| Topological Polar Surface Area | 181.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1150.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
