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CL1-SN38 - 97%, high purity , CAS No.1279680-68-0
Basic Description
Synonyms
CL2A-SN-38
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
CL2A-SN38, a drug-linker conjugate, consists of a potent a DNA Topoisomerase I inhibitor SN-38 and a linker CL2A to make antibody drug conjugate (ADC). CL2A-SN-38 provides significant and specific antitumor effects against various human solid tumor types.
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
Information
CL2A-SN38, a drug-linker conjugate, consists of a potent a DNA Topoisomerase I inhibitor SN-38 and a linker CL2A to make antibody drug conjugate (ADC). CL2A-SN-38 provides significant and specific antitumor effects against various human solid tumor types.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Camptothecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Camptothecins
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Hydroxyquinolines Benzyloxycarbonyls Pyranopyridines Anilides N-arylamides 1-hydroxy-2-unsubstituted benzenoids Maleimides Pyridinones N-substituted carboxylic acid imides Carbonic acid diesters Fatty amides Heteroaromatic compounds Pyrrolines Dicarboximides Triazoles Secondary carboxylic acid amides Carboxylic acid esters Lactones Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Carbonyl compounds Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Hydroxyquinoline - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Pyranopyridine - Quinoline - Anilide - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridinone - Maleimide - Monocyclic benzene moiety - Carbonic acid diester - Fatty amide - Carboxylic acid imide, n-substituted - Fatty acyl - Pyridine - Benzenoid - 1,2,3-triazole - Pyrroline - Azole - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Secondary carboxylic acid amide - Amino acid or derivatives - Carbonic acid derivative - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid derivative - Dialkyl ether - Azacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Primary amine - Amine - Organic oxide - Primary aliphatic amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
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
[4-[[(2S)-6-amino-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]phenyl]methyl [(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] carbonate
INCHI
InChI=1S/C73H97N11O22/c1-3-55-56-39-54(85)16-17-60(56)79-67-57(55)44-83-62(67)40-59-58(70(83)92)46-104-71(93)73(59,4-2)106-72(94)105-45-50-10-14-52(15-11-50)77-69(91)61(7-5-6-20-74)78-64(87)48-103-47-63(86)75-21-23-95-25-27-97-29-31-99-33-35-101-37-38-102-36-34-100-32-30-98-28-26-96-24-22-82-43-53(80-81-82)41-76-68(90)51-12-8-49(9-13-51)42-84-65(88)18-19-66(84)89/h10-11,14-19,39-40,43,49,51,61,85H,3-9,12-13,20-38,41-42,44-48,74H2,1-2H3,(H,75,86)(H,76,90)(H,77,91)(H,78,87)/t49?,51?,61-,73-/m0/s1
InChIKey
CMVRBCDBISKHME-URBSQPMJSA-N
Smiles
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)C(CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN6C=C(N=N6)CNC(=O)C7CCC(CC7)CN8C(=O)C=CC8=O)C2=NC9=C1C=C(C=C9)O
Isomeric SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN6C=C(N=N6)CNC(=O)C7CCC(CC7)CN8C(=O)C=CC8=O)C2=NC9=C1C=C(C=C9)O
PubChem CID
89983570
Molecular Weight
1480.61
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
1480.600 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
26
Rotatable Bond Count
50
Exact Mass
1479.68 Da
Monoisotopic Mass
1479.68 Da
Topological Polar Surface Area
409.000 Ų
Heavy Atom Count
106
Formal Charge
0
Complexity
2930.000
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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G2402261