1,25-Dihydroxy-16-ene-23-yne-vitamin D3 , Vitamin D receptor agonist, CAS No.118694-43-2, Vitamin D receptor agonist

CAS: 118694-43-2 Cat. No.: D671014 Peso molecular: 410.6
Disponible para pedir
Synonyms
Ro-23-7553 | Ilx 237553 | (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | 5-{2-[1-((1R)-5-Hydroxy-1,5-dimethylhex-3-ynyl)(7aS)-7a-me
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
D671014-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
999,90US$
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Why this grade

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

Sinónimos
Ro-23-7553 | Ilx 237553 | (1R, 3S, 5Z)-5-[(2E)-2-[(3aS, 7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a, 5, 6, 7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1, 3-diol | 5-{2-[1-((1R)-5-Hydroxy-1, 5-dimethylhex-3-ynyl)(7aS)-7a-me
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
AGONIST
Mecanismo de acción
Vitamin D receptor agonist
Propiedades del producto
ALogP3.4
Nombres e identificadores
Sonrisas canónicasCC(CC#CC(C)(C)O)C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
IUPAC Name(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyJKFZMIQMKFWJAY-RQJQXFIZSA-N
INCHI1S/C27H38O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-12,18,22,24-25,28-30H,2,7-9,13,15-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1
Isómeros SMILES C[C@H](CC#CC(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
Peso molecular 410.6
Reaxy-Rn 7833004
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7833004&ln=

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
ClaseSteroids and steroid derivatives
SubclassVitamin D and derivatives
Intermediate Tree Nodes Not available
Direct ParentVitamin D and derivatives
Alternative Parents Triterpenoids  Ynones  Tertiary alcohols  Secondary alcohols  Cyclic alcohols and derivatives  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Triterpenoid - Ynone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
External Descriptors Vitamin D3 and derivatives
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MG-63 (795 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Vitamin D3 receptor (18 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 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
Peso molecular410.600 g/mol
XLogP33.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass410.282 Da
Monoisotopic Mass410.282 Da
Topological Polar Surface Area60.700 Ų
Heavy Atom Count30
Formal Charge0
Complexity844.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds2
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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