L-690,330 - Moligand™ , CAS No.142523-38-4

CAS: 142523-38-4 Cat. No.: L287140 Molecular Weight: 298.13
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
NILUTAMIDE (EP MONOGRAPH) | BRD-K28470988-001-01-2 | SR-01000597623-1 | J-007663 | Phosphonic acid, (1-(4-hydroxyphenoxy)ethylidene)bis- | [1-(4-Hydroxyphenoxy)ethylidene]bisphosphonic acid | HMS3411O20 | SCHEMBL9663413 | CAS-4394-00-7 | SR-01000597623 |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
L287140-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$373.90
50mg
L287140-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,565.90
Enter a quantity for the sizes you want to add.
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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 Normal 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
NILUTAMIDE (EP MONOGRAPH) | BRD-K28470988-001-01-2 | SR-01000597623-1 | J-007663 | Phosphonic acid, (1-(4-hydroxyphenoxy)ethylidene)bis- | [1-(4-Hydroxyphenoxy)ethylidene]bisphosphonic acid | HMS3411O20 | SCHEMBL9663413 | CAS-4394-00-7 | SR-01000597623 |
Specifications & Purity
Moligand™
Biochemical and Physiological Mechanisms
A potent inhibitor of inositol monophophatase; stable to hydrolysis. Induces autophagy in COS-7 cells independently of mTOR inhibition.
Storage
Room temperature
Shipped In
Normal
Grade
Moligand™
Action Type
INHIBITOR
Names and Identifiers
Canonical SmilesCC(OC1=CC=C(C=C1)O)(P(=O)(O)O)P(=O)(O)O
IUPAC Name[1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid
InChIKeyJKOCAAWWDVHWKB-UHFFFAOYSA-N
INCHI1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
Isomeric SMILES CC(OC1=CC=C(C=C1)O)(P(=O)(O)O)P(=O)(O)O
Molecular Weight 298.13
Reaxy-Rn 7716207
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7716207&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
SuperclassOrganic acids and derivatives
ClassOrganic phosphonic acids and derivatives
SubclassBisphosphonates
Intermediate Tree Nodes Not available
Direct ParentBisphosphonates
Alternative Parents 4-alkoxyphenols  Phenoxy compounds  Phenol ethers  1-hydroxy-2-unsubstituted benzenoids  Organic phosphonic acids  Organopnictogen compounds  Organophosphorus compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 4-alkoxyphenol - Bisphosphonate - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Organophosphonic acid - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
IMPA1 Tclin Inositol-1(or 4)-monophosphatase 1 (0 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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
SolubilitySolvent:water, Max Conc. mg/mL: 29.81, Max Conc. mM: 100 with gentle warming
Molecular Weight298.120 g/mol
XLogP3-1.700
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass298.001 Da
Monoisotopic Mass298.001 Da
Topological Polar Surface Area145.000 Ų
Heavy Atom Count18
Formal Charge0
Complexity355.000
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
Reviews

Customer Reviews

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