Ellipticine hydrochloride - ≥98% , CAS No.5081-48-1

CAS: 5081-48-1 Cat. No.: E413636 분자식: C₁₇H₁₅ClN₂ 분자량: 282.77

GRADE & PURITY ≥98%

Synonyms

Q27254611 | 5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride | BS-17160 | NSC71795 hydrochloride | D71154 | 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole hydrochloride | BCP30117 | Ellipticine (hydrochloride) | Ellipticine hydrochloride | AC-35692 | UNII-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

Ellipticine Hydrochloride (NSC 71795, PZE) is a potent inhibitor ofDNA topoisomerase IIand forms covalent DNA adducts mediated by its oxidation withcytochromes P450 (CYP)andperoxidases. Ellipticine Hydrochloride is a natural product isolated from the Australian evergreen tree of the Apocynaceae family with antineoplastic activity.

Targets

P450 ; peroxidase ; Topo II

Specifications

동의어

Q27254611 | 5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride | BS-17160 | NSC71795 hydrochloride | D71154 | 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole hydrochloride | BCP30117 | Ellipticine (hydrochloride) | Ellipticine hydrochloride | AC-35692 | UNII-2

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Ellipticine Hydrochloride (NSC 71795, PZE) is a potent inhibitor of DNA topoisomerase II and forms covalent DNA adducts mediated by its oxidation with cytochromes P450 (CYP) and peroxidases. Ellipticine Hydrochloride is a natural product isolated from the

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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

순수함

≥98%

제품 특성

ALogP

4.435

hba_count

1

HBD 수

1

이름과 식별자

Pubchem Sid

504757633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757633

정식 스마일

CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C.Cl

IUPAC Name

5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride

InChIKey

VSBNVARERCGCEF-UHFFFAOYSA-N

INCHI

1S/C17H14N2.ClH/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17;/h3-9,19H,1-2H3;1H

이성체 SMILES

CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C.Cl

대체 CAS

519-23-3

분자량

282.77

Reaxy-Rn

27260898

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27260898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Isoquinolines and derivatives Indoles Pyridines and derivatives Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Isoquinoline - Indole - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene 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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 3 mg/mL (10.6 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL
• 감도: Moisture sensitive
• DMSO(mg/mL) 최대 용해도: 3
• DMSO(mM) 최대 용해도: 10.6093291367543
• 물(mg/mL) 최대 용해도: ˂1
• 분자량: 282.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 282.092 Da
• Monoisotopic Mass: 282.092 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 342.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 5081-48-1, the molecular formula is C17H15ClN2, and the molecular weight is 282.77 g/mol. InChIKey VSBNVARERCGCEF-UHFFFAOYSA-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.