3beta-(2-(Diethylamino)ethoxy)androst-5-en-17-one , CAS No.2855-62-1

CAS: 2855-62-1 Cat. No.: B669050 Molecular Weight: 387.6 PubChem CID: 9954083
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Synonyms
LS-3360 | 539DN9NA2P | 3beta-(2-diethylaminoethoxy)androst-5-en-17-one | 3beta-(2-(Diethylamino)ethoxy)androst-5-en-17-one | UNII-539DN9NA2P | Androst-5-en-17-one, 3beta-(2-(diethylamino)ethoxy)- | Androst-5-en-17-one, 3-(2-(diethylamino)ethoxy)-, (3beta)
Storage
Room temperature
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Size
Status
Price
Qty
1mg
B669050-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
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5mg
B669050-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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.

Specifications

Synonyms
LS-3360 | 539DN9NA2P | 3beta-(2-diethylaminoethoxy)androst-5-en-17-one | 3beta-(2-(Diethylamino)ethoxy)androst-5-en-17-one | UNII-539DN9NA2P | Androst-5-en-17-one, 3beta-(2-(diethylamino)ethoxy)- | Androst-5-en-17-one, 3-(2-(diethylamino)ethoxy)-, (3beta)
Storage
Room temperature
Product Properties
ALogP4.5
Names and Identifiers
Canonical SmilesCCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C
IUPAC Name(3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChIKeyDMZCCFMMPHJWQY-BKWLFHPQSA-N
INCHI1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
Isomeric SMILES CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
PubChem CID 9954083
Molecular Weight 387.6

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 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
SubclassAndrostane steroids
Intermediate Tree Nodes Not available
Direct ParentAndrostane steroids
Alternative Parents 17-oxosteroids  Delta-5-steroids  Trialkylamines  Ketones  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Androstane-skeleton - 17-oxosteroid - Oxosteroid - Delta-5-steroid - Ketone - Tertiary amine - Tertiary aliphatic amine - Ether - Dialkyl ether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EBP Tchem 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EBP Tchem 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ERG2 C-8 sterol isomerase (237 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sigmar1 Sigma opioid receptor (160 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
N2a (708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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 Weight387.600 g/mol
XLogP34.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass387.314 Da
Monoisotopic Mass387.314 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count28
Formal Charge0
Complexity624.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
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

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