SPRi3 - Moligand™ , Inhibitor of sepiapterin reductase, CAS No.S613680, Inhibitor of sepiapterin reductase

CAS: S613680 Cat. No.: S613680 PubChem CID: 52911386
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
example 23 [WO2011047156];SPR inhibitor 3
Storage
Room temperature
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Size
Status
Price
Qty
5mg
S613680-5mg
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%)
25mg
S613680-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,001.90
Save $287.00 (14.34%)
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Why this grade

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

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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
example 23 [WO2011047156];SPR inhibitor 3
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of sepiapterin reductase
Names and Identifiers
Canonical SmilesCOCC(=O)NCCc1c(C)[nH]c2c1cc(O)cc2
IUPAC NameN-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide
InChIKeyYBXBWBBVLXZQBJ-UHFFFAOYSA-N
INCHI1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)
Isomeric SMILES CC1=C(C2=C(N1)C=CC(=C2)O)CCNC(=O)COC
PubChem CID 52911386

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
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassTryptamines and derivatives
Intermediate Tree Nodes Serotonins
Direct ParentN-acylserotonins
Alternative Parents Hydroxyindoles  3-alkylindoles  1-hydroxy-2-unsubstituted benzenoids  Substituted pyrroles  Heteroaromatic compounds  Secondary carboxylic acid amides  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-acylserotonin - 3-alkylindole - Hydroxyindole - Indole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acylserotonins. These are aromatic heterocyclic compounds containing a serotonin, in which the amine group is acylated.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SPR Tchem Sepiapterin reductase (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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 Weight262.300 g/mol
XLogP31.600
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass262.132 Da
Monoisotopic Mass262.132 Da
Topological Polar Surface Area74.400 Ų
Heavy Atom Count19
Formal Charge0
Complexity311.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
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