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Duocarmycin SA - ≥98.0%, high purity , CAS No.130288-24-3

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Duocarmycin SA - ≥98.0%, high purity , CAS No.130288-24-3

COA

Grade & Purity:

≥98%

Cas Number: 130288-24-3
Molecular Weight: 477.47
PubChem CID: 115369

In stock

Item Number

D651403

Grouped product items
SKU	Size	Availability	Price	Qty
D651403-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$840.90

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ADC Cytotoxin (102) Antibiotic (1629) Antibody-drug Conjugate/ADC Related (553) Apoptosis (4276) Cell Cycle/DNA Damage (2602) DNA Alkylator/Crosslinker (72) DNA Damage (697) Necrotic Cell Death (68)

Basic Description

Synonyms	SCHEMBL61916 \| DTXSID30926663 \| AKOS032946598 \| Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,8,8a-hexahydro-4-oxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (7bR)- \| Antibiotic DC113 \| duocarmycin sa \| duocarmycinsa \| (+)
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Duocarmycin SA is an orally active antitumor antibiotic with an IC 50 of 10 pM. Duocarmycin SA is an extremely potent cytotoxic agent capable of inducing a sequence-selective alkylation of duplex DNA. Duocarmycin SA demonstrates synergistic cytotoxic
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Duocarmycin SA is a potent antitumor antibiotic with an IC 50 of 10 pM Duocarmycin SA is an extremely potent cytotoxic agent capable of inducing a sequence-selective alkylation of duplex DNA. Duocarmycin SA demonstrates synergistic cytotoxicity against glioblastoma multiforme (GBM) cells treated with proton radiation in vitro . Form:Solid IC50& Target:Duocarmycins

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

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	N-acylpiperidines Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Anisoles N-acylpyrrolidines Aryl ketones Alkyl aryl ethers Substituted pyrroles Vinylogous amides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxamide derivative - Indole - N-acyl-piperidine - Anisole - 2-heteroaryl carboxamide - N-acylpyrrolidine - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Piperidine - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxamide group - Ketone - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MOLT-4 (49676 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

L1210 (27553 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
INCHI	InChI=1S/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,9-10H2,1-4H3/t12-,25-/m1/s1
InChIKey	VQNATVDKACXKTF-XELLLNAOSA-N
Smiles	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC4CC45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC
Isomeric SMILES	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC
PubChem CID	115369
Molecular Weight	477.47

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	477.500 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	477.154 Da
Monoisotopic Mass	477.154 Da
Topological Polar Surface Area	123.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	971.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

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