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pregnenolone sulphate - Moligand™ , Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3, CAS No.1247-64-9, Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3

CAS: 1247-64-9 Cat. No.: P612918 PubChem CID: 105074
COA
pregnenolone sulphate - Moligand™ , Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3, CAS No.1247-64-9, Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3
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.
Synonyms
CMC_13403 | BDBM50503144 | UNII-04Y4D91RG0 | PREGS | Pregnenolone monosulfate | [3H]pregnenolone sulphate | LUZRJRNZXALNLM-JGRZULCMSA-N | 20-oxopregn-5-en-3beta-yl sulfate | C18044 | Pregn-5-en-20-one-3beta-yl sulfate Pregnenolone 3-sulfate | 20-Oxopregn-
Storage
Room temperature
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25μg
P612918-25μg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,142.90

$1,334.90
Save $192.00 (14.38%)
100μg
P612918-100μg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$2,857.90

$3,334.90
Save $477.00 (14.30%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
CMC_13403 | BDBM50503144 | UNII-04Y4D91RG0 | PREGS | Pregnenolone monosulfate | [3H]pregnenolone sulphate | LUZRJRNZXALNLM-JGRZULCMSA-N | 20-oxopregn-5-en-3beta-yl sulfate | C18044 | Pregn-5-en-20-one-3beta-yl sulfate Pregnenolone 3-sulfate | 20-Oxopregn-
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ACTIVATOR, ANTAGONIST
Mechanism of action
Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3
Names and Identifiers
Canonical SmilesCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C
IUPAC Name[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
InChIKeyDIJBBUIOWGGQOP-QGVNFLHTSA-N
INCHI1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
Isomeric SMILES CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C
Alternate CAS 1247-64-9
PubChem CID 105074
MeSH Entry Terms 5-pregnen-3 beta-ol-20-one sulfate;pregnenolone sulfate;pregnenolone sulfate, (3alpha)-isomer;pregnenolone sulfate, sodium salt, (3beta)-isomer

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.

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📊 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
SubclassSulfated steroids
Intermediate Tree Nodes Not available
Direct ParentSulfated steroids
Alternative Parents Pregnane steroids  20-oxosteroids  Delta-5-steroids  Sulfuric acid monoesters  Alkyl sulfates  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Sulfated steroid skeleton - 20-oxosteroid - Pregnane-skeleton - Oxosteroid - Delta-5-steroid - Sulfuric acid ester - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Ketone - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.
External Descriptors Sulfates
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TRPM1 Tchem Transient receptor potential cation channel subfamily M member 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TRPM3 Tchem Transient receptor potential cation channel subfamily M member 3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GLRA2 Tchem Glycine receptor subunit alpha-2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GLRA1 Tclin Glycine receptor subunit alpha-1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GLRB Tclin Glycine receptor subunit beta (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GRIN2A Tclin Glutamate [NMDA] receptor subunit epsilon 1 (112 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRIN2B Tclin Glutamate [NMDA] receptor subunit epsilon 2 (467 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRIN2C Tclin Glutamate [NMDA] receptor subunit epsilon 3 (47 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Grin2d Glutamate [NMDA] receptor subunit epsilon 4 (130 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 Weight396.500 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass396.197 Da
Monoisotopic Mass396.197 Da
Topological Polar Surface Area89.100 Ų
Heavy Atom Count27
Formal Charge0
Complexity766.000
Isotope Atom Count0
Defined Atom Stereocenter Count7
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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