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SGD-1910 , CAS No.1342820-51-2
Basic Description
Synonyms
Talirine pyrrole-2,5-dione | L-Alaninamide, N-(6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N-(4-((11aS)-8-(3-(((11aS)-5,11a-dihydro-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrrolo(2,1-C)(1,4)benzodiazepin-8-yl)oxy)propoxy)-5,11a-dihydro-7-
Biochemical and Physiological Mechanisms
SGD-1910 is a agent-linker conjugate for ADC by using the antitumor antibiotic , pyrrolobenzodiazepine (PBD, a cytotoxic DNA crosslinking), linked via the cleavable linker MC-Val-Ala.
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
SGD-1910 is a agent-linker conjugate for ADC by using the antitumor antibiotic , pyrrolobenzodiazepine (PBD, a cytotoxic DNA crosslinking), linked via the cleavable linker MC-Val-Ala
In Vitro
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:Pyrrolobenzodiazepines
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Peptides
Direct Parent
Dipeptides
Alternative Parents
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides 1,4-benzodiazepines Phenylpyrrolines Alanine and derivatives Anilides Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Maleimides Alkyl aryl ethers N-acyl amines N-substituted carboxylic acid imides Dicarboximides Tertiary carboxylic acid amides Pyrroles Lactams Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Imines Organic oxides Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - 3-phenylpyrroline - Benzodiazepine - 1,4-benzodiazepine - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Anilide - Methoxybenzene - Phenol ether - N-arylamide - Phenoxy compound - Anisole - Alkyl aryl ether - Maleimide - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Carboxylic acid imide - Dicarboximide - Tertiary carboxylic acid amide - Pyrroline - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
N-[(2S)-1-[[(2S)-1-[4-[(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
INCHI
InChI=1S/C60H64N8O12/c1-35(2)56(65-53(69)11-8-7-9-22-66-54(70)20-21-55(66)71)58(73)63-36(3)57(72)64-41-16-12-37(13-17-41)39-25-42-31-61-47-29-51(49(77-5)27-45(47)59(74)67(42)33-39)79-23-10-24-80-52-30-48-46(28-50(52)78-6)60(75)68-34-40(26-43(68)32-62-48)38-14-18-44(76-4)19-15-38/h12-21,27-36,42-43,56H,7-11,22-26H2,1-6H3,(H,63,73)(H,64,72)(H,65,69)/t36-,42-,43-,56-/m0/s1
InChIKey
TWQIMWSQDICMSE-DGCIIGOYSA-N
Smiles
CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)C2=CN3C(C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=CC7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC)NC(=O)CCCCCN9C(=O)C=CC9=O
Isomeric SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)C2=CN3[C@@H](C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN9C(=O)C=CC9=O
Alternate CAS
1342820-51-2
PubChem CID
89396500
Molecular Weight
1089.20
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
1089.200 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
14
Rotatable Bond Count
23
Exact Mass
1088.46 Da
Monoisotopic Mass
1088.46 Da
Topological Polar Surface Area
236.000 Ų
Heavy Atom Count
80
Formal Charge
0
Complexity
2390.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
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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