Estramustine - Moligand™, ≥98% , CAS No.2998-57-4

Name: Estramustine - Moligand™, ≥98% , CAS No.2998-57-4
SKU: E275201
Availability: InStock

CAS: 2998-57-4 Cat. No.: E275201 분자식: C₂₃H₃₁Cl₂NO₃ 분자량: 440.4 EC 번호: 221-076-3

COA

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Estramustine - Moligand™, ≥98% CAS No(2998-57-4) by Aladdin Scientific

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주문 가능

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate | Carbamic acid, bis(2-chloroethyl)-, 17beta-hydroxyestra-1,3,5(10)-trien-3-yl ester | ESTRAMUSTINE [MI] | EN300-18

Storage

Store at 2-8°C

Shipped In

Wet ice

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Store at +4°C. The product can be stored for up to 12 months.

Specifications

동의어

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Microtubule assembly inhibitor. Inhibits endothelial cell proliferation (IC 50 = 4.5 μM) and down-regulates prostate-specific antigen expression (IC 50 = 10.97 μM). Alkylating and antitumor agent. Active in vitro and in vivo .

출처

Synthetic

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

순수함

≥98%

이름과 식별자

Pubchem Sid	508817063
정식 스마일	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
IUPAC Name	[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
InChIKey	FRPJXPJMRWBBIH-RBRWEJTLSA-N
INCHI	1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1
이성체 SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
대체 CAS	2998-57-4
NSC 번호	89201
MeSH 용어	Emcyt;Estracyt;Estramustin Phosphate;Estramustine;Estramustine Phosphate Sodium;Estramustinphosphate;Leo 275;Leo-275;Leo275;NSC 89199;NSC-89199;NSC89199;Phosphate Sodium, Estramustine;Phosphate, Estramustin
분자량	440.4
Reaxy-Rn	1895835
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1895835&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - 분류 Steroids and steroid derivatives
    - Subclass Estrane steroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
분류	Steroids and steroid derivatives
Subclass	Estrane steroids
Intermediate Tree Nodes	Not available
Direct Parent	Estrane steroids
Alternative Parents	17-hydroxysteroids Phenanthrenes and derivatives Tetralins Nitrogen mustard compounds Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Estrane-skeleton - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - Nitrogen mustard - Benzenoid - Cyclic alcohol - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Alkyl chloride - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Aromatic homopolycyclic compound
설명	This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors	C18 steroids (estrogens) and derivatives
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

3D 구조

관련 대상(인간)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

Discover Target: PTPN11

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	날짜	항목
A2329598	Certificate of Analysis	Aug 06, 2024	E275201
A2329603	Certificate of Analysis	Aug 06, 2024	E275201
A2329619	Certificate of Analysis	Aug 06, 2024	E275201
A2329620	Certificate of Analysis	Aug 06, 2024	E275201
A2329702	Certificate of Analysis	Aug 06, 2024	E275201
A2329703	Certificate of Analysis	Aug 06, 2024	E275201

용해성	Insoluble in water，soluble in DMSO
굴절률	1.58
끓는점(°C)	565.8° C at 760 mmHg
녹는점(°C)	122-126° C
분자량	440.400 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	439.168 Da
Monoisotopic Mass	439.168 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	584.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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

Estramustine - Moligand™, ≥98% , CAS No.2998-57-4

Why this grade

Storage & shipping

Quality documents

Literature proof

개요

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

고객 리뷰

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