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Home/Compounds/CAS 164083-84-5
Formula C22H27N2O5PMW 430.4Research-use catalog entryCOA/SDS by request

LY311727

CAS Number: 164083-84-5

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Loading RDKit molecule structure...
InChIKey: OPWQYOUZRHDKBR-UHFFFAOYSA-NC22H27N2O5P | MW 430.4

Chemical Absolute Identifiers

CAS Number

164083-84-5

PubChem CID

155922

Molecular Formula

C22H27N2O5P

Molecular Weight

430.4 g/mol

Exact Mass

430.165759

InChIKey

OPWQYOUZRHDKBR-UHFFFAOYSA-N

IUPAC Name

3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxypropylphosphonic acid

SMILES String

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)N

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

LY311727 (CAS 164083-84-5) is listed in the Advanced Chemicals portfolio, with molecular formula C22H27N2O5P and molecular weight 430. 40 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Synthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Phospholipase A2, membrane associated (Homo sapiens) — 8 assays; Phospholipase A2, major isoenzyme (Sus scrofa) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Phospholipase A2, membrane associated

Homo sapiens · SINGLE PROTEIN · 8 qualifying assays · 5 documents · best pChEMBL 7.64

Experimental evidence source: ChEMBL

Phospholipase A2, major isoenzyme

Sus scrofa · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 5.1

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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PPE

Respiratory protection if needed

First Aid

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  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity.
  • Carbon monoxide, carbon dioxide, nitrogen oxides, phosphorus oxides.

Disposal

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  • Contact a professional agency with a waste disposal license to handle this substance.
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Accidental Release

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  • Sweep and shovel up.

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

LY311727

Names & Synonyms

Ly 311727(3-{[3-(2-Amino-2-Oxoethyl)-1-Benzyl-2-Ethyl-1h-Indol-5-Yl]oxy}propyl)phosphonic Acid(3-((3-(2-Amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl)oxy)propyl)phosphonic acidPhosphonic acid, P-[3-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]-Phosphonic acid, (3-((3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-5-yl)oxy)propyl)-
Show all synonyms
3-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-5-yl]oxypropylphosphonic acidU8D(3-{[1-benzyl-3-(carbamoylmethyl)-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acidLY311727?LY311727, >=98% (HPLC), powder[3-[[3-(2-Amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]-phosphonic acid[3-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acidPhosphonic acid, [3-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]-propyl]-
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID80167706CHEMBL ID: CHEMBL146186HMDB ID: HMDB0254234WIKIDATA ID: Q27466824
Experimental Spectrum References
13C NMR Spectra
Literature & Patent References
DOI 10.1021/acs.jmedchem.1c02113Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.PMID 35244402Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.DOI 10.1016/j.bmc.2010.03.049Design of new potent and selective secretory phospholipase A(2) inhibitors. 6-Synthesis, structure-activity relationships and molecular modelling of 1-substituted-4-[4,5-dihydro-1,2,4-(4H)-oxadiazol-5-one-3-yl(methyl)]-functionalized aryl piperazin/one/dione derivatives.PMID 20417107Design of new potent and selective secretory phospholipase A(2) inhibitors. 6-Synthesis, structure-activity relationships and molecular modelling of 1-substituted-4-[4,5-dihydro-1,2,4-(4H)-oxadiazol-5-one-3-yl(methyl)]-functionalized aryl piperazin/one/dione derivatives.DOI 10.1016/j.bmc.2007.10.077Design of new potent and selective secretory phospholipase A2 inhibitors. Part 5: synthesis and biological activity of 1-alkyl-4-[4,5-dihydro-1,2,4-[4H]-oxadiazol-5-one-3-ylmethylbenz-4'-yl(oyl)] piperazines.DOI 10.1016/j.bmc.2008.08.001Development of a second generation of inhibitors of microsomal prostaglandin E synthase 1 expression bearing the gamma-hydroxybutenolide scaffold.PMID 17993277Design of new potent and selective secretory phospholipase A2 inhibitors. Part 5: synthesis and biological activity of 1-alkyl-4-[4,5-dihydro-1,2,4-[4H]-oxadiazol-5-one-3-ylmethylbenz-4'-yl(oyl)] piperazines.PMID 18790649Development of a second generation of inhibitors of microsomal prostaglandin E synthase 1 expression bearing the gamma-hydroxybutenolide scaffold.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

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What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
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  3. 3We review destination and shipment documentation needs when applicable.
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Text Reference Cues

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Non-public related references

Phenylethanephosphonic acidCAS 4672-30-4
P-((3R)-3-Amino-4-((3-hexylphenyl)amino)-4-oxobutyl)phosphonic acidCAS 909725-61-7
Benzylphosphonic AcidCAS 6881-57-8
Dibenzyl phosphateCAS 1623-08-1
Benzyl phosphateCAS 1623-07-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 164083-84-5

What are the key identifiers for LY311727 (CAS 164083-84-5)?

LY311727 is identified by CAS 164083-84-5, with molecular formula C22H27N2O5P, molecular weight 430.4, InChIKey OPWQYOUZRHDKBR-UHFFFAOYSA-N.

Does CAS 164083-84-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Phospholipase A2, membrane associated, Phospholipase A2, major isoenzyme. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 164083-84-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for LY311727?

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Is CAS 164083-84-5 available for quotation?

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