Exatecan (mesylate) , CAS No.169869-90-3

CAS: 169869-90-3 Cat. No.: E1372336-GMP 분자식: C₂₅H₂₆FN₃O₇S 분자량: 531.55 EC 번호: 881-303-2 PubChem CID: 6918249

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

개요

Exatecan mesylate (DX8951f ) GMP is a GMP-class Exatecan. Exatecan is a DNA topoisomerase I inhibitor, with an IC50 of 2.2 μM (0.975 μg/mL), and can be used in cancer research.

Specifications

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

이름과 식별자

• 정식 스마일: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O
• IUPAC Name: (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid
• InChIKey: BICYDYDJHSBMFS-GRGFAMGGSA-N
• INCHI: 1S/C24H22FN3O4.CH4O3S/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4)/t16-,24-;/m0./s1
• 이성체 SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O
• 대체 CAS: 171335-80-1
• PubChem CID: 6918249
• 분자량: 531.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 분류 Camptothecins

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: Camptothecins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Camptothecins
• Alternative Parents: Haloquinolines Pyranopyridines Pyridinones Aralkylamines Aryl fluorides Benzenoids Tertiary alcohols Sulfonyls Alkanesulfonic acids Organosulfonic acids Methanesulfonates Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactones Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Monoalkylamines Organofluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Camptothecin - Haloquinoline - Pyranopyridine - Quinoline - Pyridinone - Aralkylamine - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Methanesulfonate - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary alcohol - Alkanesulfonic acid - Lactone - Lactam - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: 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.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 감도: Sensitive to humidity and light

자주 묻는 질문

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 169869-90-3, the molecular formula is C25H26FN3O7S, and the molecular weight is 531.55 g/mol. InChIKey BICYDYDJHSBMFS-GRGFAMGGSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.