SAFit1 - Moligand™,≥99% , CAS No.1643125-32-9

CAS: 1643125-32-9 Cat. No.: S648365 Peso molecular: 747.87 PubChem CID: 86277875
Disponible para pedir
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. ≥99%
Synonyms
2-(3-((R)-1-(((S)-1-((S)-2-Cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
S648365-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
89,90US$
5mg
S648365-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
189,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Descripción general

SAFit1 is a FK506 binding protein 51 ( FKBP51 )-specific inhibitor with a K i of 4±0.3 nM

Specifications

Sinónimos
2-(3-((R)-1-(((S)-1-((S)-2-Cyclohexyl-2-(3, 4, 5-trimethoxyphenyl)acetyl)piperidine-2-carbonyl)oxy)-3-(3, 4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Especificaciones y pureza
Moligand™, ≥99%
Mecanismos bioquímicos y fisiológicos
SAFit1 is a FK506 binding protein 51 ( FKBP51 )-specific inhibitor with a K i of 4±0.3 nM.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasCOC1=C(C=C(C=C1)CCC(C2=CC(=CC=C2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(C4CCCCC4)C5=CC(=C(C(=C5)OC)OC)OC)OC
IUPAC Name2-[3-[(1R)-1-[(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid
InChIKeyOEQZPFWOEOOISR-AKTKKGGCSA-N
INCHI1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1
Isómeros SMILES COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C4CCCCC4)C5=CC(=C(C(=C5)OC)OC)OC)OC
PubChem CID 86277875
Peso molecular 747.87

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
SuperclassPhenylpropanoids and polyketides
ClaseLinear 1,3-diarylpropanoids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentLinear 1,3-diarylpropanoids
Alternative Parents Alpha amino acid esters  Phenoxyacetic acid derivatives  Benzyloxycarbonyls  Dimethoxybenzenes  Phenylacetamides  N-acylpiperidines  Piperidinecarboxylic acids  Phenoxy compounds  Anisoles  Alkyl aryl ethers  Dicarboxylic acids and derivatives  Tertiary carboxylic acid amides  Carboxylic acid esters  Carboxylic acids  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Linear 1,3-diarylpropanoid - Alpha-amino acid ester - Phenoxyacetate - Alpha-amino acid or derivatives - Phenylacetamide - O-dimethoxybenzene - Dimethoxybenzene - Benzyloxycarbonyl - N-acyl-piperidine - Piperidinecarboxylic acid - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Piperidine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
FKBP1A Tclin Peptidyl-prolyl cis-trans isomerase FKBP1A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FKBP5 Tchem Peptidyl-prolyl cis-trans isomerase FKBP5 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FKBP1A Tclin FK506-binding protein 1A (1014 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FKBP4 Tchem FK506 binding protein 4 (257 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : ≥ 300 mg/mL (401.14 mM)
Peso molecular747.900 g/mol
XLogP38.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass747.362 Da
Monoisotopic Mass747.362 Da
Topological Polar Surface Area139.000 Ų
Heavy Atom Count54
Formal Charge0
Complexity1150.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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