7-Ethylcamptothecin - 10mM in DMSO , CAS No.78287-27-1

CAS: 78287-27-1 Cat. No.: E425943 Fórmula: C₂₂H₂₀N₂O₄ Peso molecular: 376.41 Número EC: 680-163-8

CALIDAD & PUREZA 10mM in DMSO

Synonyms

3,3,5-Trimethylcyclohexyl hydroxy(phenyl)acetate|7-ETHYLCAMPTOTHECIN [USP IMPURITY]|Proeptatriene [Italian]|4,11-diethyl-4,9-dihydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione|7-Ethyl-20(S)-camptothecin|7-Ethylcamptothecin|7-ethyl-camptothecin|(S)-4,11-Diethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|(S)-4,11-Diethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione (7-Ethyl-20(S)-camptothecin)|4,11-Diethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione|SN-22|(S)-4,11-Diethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione|SDCCGSBI-0028924.P003|1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4,11-DIETHYL-4-HYDROXY-, (4S)-|SN 22|(S)-4,11-Diethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione|4,11-Diethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (SN-38)|1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4-hydroxy-, (S)-|4,11-Diethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione|(R)-4-Ethyl-4-methyl-1,4a,12,13a-tetrahydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione|(19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione|(S)-4,11-DIETHYL-4-HYDROXY-1H-PYRANO(3,4:6,7)INDOLIZINO(1,2-B)QUIN OLINE-3,14(4H,12H)-DIONE|7-Ethyl camptothecin

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

3,3,5-Trimethylcyclohexyl hydroxy(phenyl)acetate | 7-ETHYLCAMPTOTHECIN [USP IMPURITY] | Proeptatriene [Italian] | 4,11-diethyl-4,9-dihydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione | 7-Ethyl-20(S)-camptothecin | 7-Ethylcamptothecin | 7-ethyl-camptothecin | (S)-4,11-Diethyl-4-hydroxy-1H-pyrano[ Show more

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Product Line

Productos bioquímicos

Nombres e identificadores

Pubchem Sid

528762645

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762645

Sonrisas canónicas

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC=CC=C51

IUPAC Name

(19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

InChIKey

MYQKIWCVEPUPIL-QFIPXVFZSA-N

INCHI

1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1

Isómeros SMILES

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC=C51

Peso molecular

376.41

Reaxy-Rn

11567758

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11567758&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Camptothecins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Camptothecins
• Alternative Parents: Quinolines and derivatives Pyranopyridines Pyridinones Benzenoids Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Camptothecin - Pyranopyridine - Quinoline - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Rotación específica [α]: 43° (C=0.4,CHCl3:MeOH=8:2)
• Peso molecular: 376.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 376.142 Da
• Monoisotopic Mass: 376.142 Da
• Topological Polar Surface Area: 79.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 787.000
• 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