ENMD-1198 - Moligand™,≥98% , CAS No.864668-87-1

CAS: 864668-87-1 Cat. No.: E646902 Molecular Weight: 311.42 PubChem CID: 11483754
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
(13R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide | ENMD-119 | DB05959 | ENMD-1198 | 2-METHOXYESTRA-1(10),2,4,16-TETRAENE-3-CARBOXAMIDE | UNII-760O4GJB9O | ESTRA-1(10),2,4,16-TETRAENE-3-CARBOXAMIDE, 2-METHOXY-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
E646902-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$149.90
5mg
E646902-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$499.90
10mg
E646902-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$699.90
25mg
E646902-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,199.90
50mg
E646902-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,799.90
Enter a quantity for the sizes you want to add.
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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 -20°C Ships Ice chest + Ice pads 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.

Overview

ENMD-1198 (IRC-110160), an orally active microtubule destabilizing agent, is a 2-methoxyestradiol analogue with antiproliferative and antiangiogenic activity. ENMD-1198 is suitable for inhibiting HIF-1alpha and STAT3 in human HCC cells and leads to reduced tumor growth and vascularization.
In Vitro
ENMD-1198 (0-5 μM; 24 hours) leads to a significant dose-dependent inhibition of HCC cell growth with IC 50 s of 2.5 μM for HUH-7 and HepG2 cells, respectively. ENMD-1198 (2.5 μM; 16 hours) abrogates EGF-induced phosphorylation of Akt (HUH-7), FAK (HUH-7), p44/42 MAPK (HepG2), and STAT3 (HUH-7, HepG2). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: HUH-7 and HepG2 cells Concentration: 0-5 μM Incubation Time: 24 hours Result: Led to a significant dose-dependent inhibition of HCC cell growth. Western Blot AnalysisCell Line: HUH-7 and HepG2 cells Concentration: 2.5 μM Incubation Time: 16 hours Result: Abrogated EGF-induced phosphorylation of Akt (HUH-7), FAK (HUH-7), p44/42 MAPK (HepG2), and STAT3 (HUH-7, HepG2).
In Vivo
ENMD-1198 (200 mg/kg; p.o.; daily from day 7 to day 19) effectively inhibits growth of hepatocellular carcinoma through direct effects on the tumor cells, and also through inhibition of angiogenesis. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Eight-week-old male athymic nude mice (BALB/c nu/nu) (xenografted hepatocellular tumors)Dosage: 200 mg/kg Administration: P.o.; daily from day 7 to day 19 Result: Led to a significant growth inhibition of xenografted hepatocellular tumors.
Form:Solid

Specifications

Synonyms
(13R)-2-methoxy-13-methyl-6, 7, 8, 9, 11, 12, 14, 15-octahydrocyclopenta[a]phenanthrene-3-carboxamide | ENMD-119 | DB05959 | ENMD-1198 | 2-METHOXYESTRA-1(10), 2, 4, 16-TETRAENE-3-CARBOXAMIDE | UNII-760O4GJB9O | ESTRA-1(10), 2, 4, 16-TETRAENE-3-CARBOXAMIDE, 2-METHOXY-
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
ENMD-1198 (IRC-110160), is microtubule destabilizing agent and a 2-methoxyestradiol analogue with antiproliferative and antiangiogenic activity. ENMD-1198 is suitable for inhibiting HIF-1alpha and STAT3 in human HCC cells and leads to reduced tumor growth
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesCC12CCC3C(C1CC=C2)CCC4=CC(=C(C=C34)OC)C(=O)N
IUPAC Name(8S,9S,13R,14S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3-carboxamide
InChIKeyYQJWOUQGXATDAE-ACNBBOPNSA-N
INCHI1S/C20H25NO2/c1-20-8-3-4-17(20)14-6-5-12-10-16(19(21)22)18(23-2)11-15(12)13(14)7-9-20/h3,8,10-11,13-14,17H,4-7,9H2,1-2H3,(H2,21,22)/t13-,14+,17-,20-/m0/s1
Isomeric SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=CC(=C(C=C34)OC)C(=O)N
Alternate CAS 864668-87-1
PubChem CID 11483754
MeSH Entry Terms 2-methoxyoestra-1,3,5(10),16-tetraene-3-carboxamide;ENMD-1198;IRC-110160
Molecular Weight 311.42

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

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
SubclassEstrane steroids
Intermediate Tree Nodes Not available
Direct ParentEstrane steroids
Alternative Parents Phenanthrenes and derivatives  Naphthalenecarboxamides  Tetralins  Anisoles  Alkyl aryl ethers  Primary carboxylic acid amides  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Estrane-skeleton - Phenanthrene - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
DescriptionThis 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 Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight311.400 g/mol
XLogP34.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass311.189 Da
Monoisotopic Mass311.189 Da
Topological Polar Surface Area52.300 Ų
Heavy Atom Count23
Formal Charge0
Complexity516.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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