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

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

CAS: 2998-57-4 Cat. No.: E275201 分子式: C₂₃H₃₁Cl₂NO₃ 分子量: 440.4 EC番号: 221-076-3

COA

イメージギャラリーの最後に移動する

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

イメージギャラリーの最初に移動する

注文可能

グレード＆純度 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]|estradiol 3-bis(2-chloroethyl)carbamate|estramustine|Estramustina [INN-Spanish]|Estramustinum|(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl bis(2-chloroethyl)carbamate|17beta-Estradiol 3-(bis(2-chloroethyl)carbamate)|estramustin|ESTRAMUSTINE [INN]|(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate|Estramustina|Ro-22-2296/000|Estramustine [USAN:INN:BAN]|RO 21-8837|(1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl N,N-bis(2-chloroethyl)carbamate|Estramustina (INN-Spanish)|Estramustinum (INN-Latin)|17.beta.-Estradiol 3-[bis(2-chloroethyl)carbamate]|17beta-(estra-1,3,5(10)-triene-3,17-diol 3-(bis(2-chloroethyl)carbamate))|Ro-222296000|estra-1,3,5(10)-triene-3,17beta-diol, 3-[bis(2-chloroethyl)carbamate]|Estra-1,5(10)-triene-3,17-diol, 3-[bis(2-chloroethyl)carbamate], (17.beta.)-|Estramustinum [INN-Latin]|ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, 3-(BIS(2-CHLOROETHYL)CARBAMATE), (17B)-|Estra-1,3,5(10)-triene-3,17-diol, 3-(bis(2-chloroethyl)carbamate), (17beta)-|estra-1,3,5(10)triene-317beta-diol 3-(N,N-bis-(2-chloroethyl)carbamate)|Estramustin Sodium Phosphate|Ro 22-2296/000|ESTRAMUSTINE [VANDF]|Estradiol 3-(bis(2-chloroethyl)carbamate)|Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(bis(2-chloroethyl)carbamate)|Estradiol 3-[bis(2-chloroethyl)carbamate]|ESTRAMUSTINE [USAN]|Estra-1,5(10)-triene-3,17-diol (17.beta.)-, 3-[bis(2-chloroethyl)carbamate]|LEO 275|Estradiol, 3-(bis(2-chloroethyl)carbamate)|Estradiol, 3-[bis(2-chloroethyl)carbamate]|Estramustine (USAN/INN)

Storage

Store at 2-8°C

Shipped In

Wet ice

概要仕様名前と識別子詳細データ Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

概要

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

仕様

同義語

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

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 .

ソース

Synthetic

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

パブケム・シド

508817063

カノニカル・スマイル

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

異性体SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl

代替CAS番号

2998-57-4

NSC番号

89201

MeSH用語

Emcyt;Estracyt;Estramustin Phosphate;Estramustine;Estramustine Phosphate Sodium;Estramustinphosphate;Leo 275;Leo-275;Leo275;NSC 89199;NSC-89199;NSC89199;Phosphate Sodium, Estramustine;Phosphate, Estramustin

分子量

440.4

Reaxy-Rn

1895835

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1895835&ln=

詳細データ

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
分類	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
説明	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

3 D構造

関連ターゲット（人間）

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	日付	商品
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

溶解度	Insoluble in water，soluble in DMSO
屈折率	1.58
沸点（°C）	565.8° C at 760 mmHg
融点（°C）	122-126° C
分子量	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

概要

仕様

詳細データ

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

顧客レビュー

グレードの選択でお困りですか？

View related series