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Home/Compounds/CAS 26049-94-5
Formula C18H18ClNO3MW 331.8Research-use catalog entryCOA/SDS by request

(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone

CAS Number: 26049-94-5

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Loading RDKit molecule structure...
InChIKey: OYHLRJGDELITAF-INIZCTEOSA-NC18H18ClNO3 | MW 331.8

Chemical Absolute Identifiers

CAS Number

26049-94-5

PubChem CID

99625

Molecular Formula

C18H18ClNO3

Molecular Weight

331.8 g/mol

Exact Mass

331.097521

InChIKey

OYHLRJGDELITAF-INIZCTEOSA-N

IUPAC Name

benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate

SMILES String

C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)OCC2=CC=CC=C2

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

(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone (CAS 26049-94-5) is listed in the Life Science portfolio, with molecular formula C18H18ClNO3 and molecular weight 331. 80 g/mol.

Sourcing context

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

Research use context

Intended for life-science research and analytical 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

Analytical ScienceLife Science ResearchResearch 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: Cruzipain (Trypanosoma cruzi) — 3 assays; Aldehyde dehydrogenase 1A1 (Homo sapiens) — 2 assays; Cysteine protease ATG4B (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Prelamin-A/C (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cruzipain

Trypanosoma cruzi · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 6.8

Experimental evidence source: ChEMBL

Aldehyde dehydrogenase 1A1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.45

Experimental evidence source: ChEMBL

Cysteine protease ATG4B

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.2

Experimental evidence source: ChEMBL

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.9

Experimental evidence source: ChEMBL

Prelamin-A/C

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.75

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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PPE

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First Aid

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Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, hydrogen chloride, nitrogen oxides.

Disposal

  • Waste product.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

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Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone

Names & Synonyms

ZPCKCarbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl esterBenzyloxycarbonylphenylalanine chloromethyl ketoneCarbamic acid, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl esterZ-L-Phe chloromethyl ketone
Show all synonyms
Z-Phe-chloromethylketone(S)-Benzyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamateSL 01L-Carbobenzyloxyphenylalanyl chloromethyl ketoneN-Carbobenzoxy-L-phenylalanyl-chloromethyl ketoneBenzyl ((1S)-3-chloro-2-oxo-1-benzylpropyl)carbamate(S)-benzyl [1-benzyl-3-chloro-2-oxopropyl]carbamateBenzyl [(1S)-3-chloro-2-oxo-1-benzylpropyl]carbamatebenzyl N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]carbamate1-BENZYLOXYCARBONYLAMINOPHENETHYL CHLOROMETHYL KETONEPhenylmethyl N-[(2s)-4-Chloro-3-Oxo-1-Phenyl-Butan-2-Yl]carbamateCarbamic acid, (3-chloro-2-oxo-1-(phenylmethyl)propyl)-, phenylmethyl ester, (S)-Carbamic acid, [(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester
External Identifiers
EC NUMBER: 247-432-8DSSTOX SUBSTANCE ID: DTXSID90885328CHEMBL ID: CHEMBL303579WIKIDATA ID: Q27467643SL-01
Experimental Spectrum References
13C NMR Spectra — Sigma-Aldrich Co. LLC.1H NMR Spectra — Sigma-Aldrich Co. LLC.ATR-IR SpectraRaman Spectra
Literature & Patent References
DOI 10.1016/j.ejmech.2020.112917Targeting Atg4B for cancer therapy: Chemical mediators.PMID 33077263Targeting Atg4B for cancer therapy: Chemical mediators.DOI 10.1016/j.bmcl.2019.02.028HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.DOI 10.1016/j.ejmech.2019.05.086Identification of benzo[cd]indol-2(1H)-ones as novel Atg4B inhibitors via a structure-based virtual screening and a novel AlphaScreen assay.PMID 30852084HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.PMID 31226656Identification of benzo[cd]indol-2(1H)-ones as novel Atg4B inhibitors via a structure-based virtual screening and a novel AlphaScreen assay.DOI 10.1016/j.ejmech.2016.07.073Inhibitor screening and enzymatic activity determination for autophagy target Atg4B using a gel electrophoresis-based assay.PMID 27517808Inhibitor screening and enzymatic activity determination for autophagy target Atg4B using a gel electrophoresis-based assay.

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

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

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.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

tert-butyl N-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)carbamateCAS 102123-74-0
Benzyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamateCAS 128018-43-9
1,1-Dimethylethyl N-((1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl)carbamateCAS 165727-45-7
(2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutaneCAS 98737-29-2
Des(benzylpyridyl) atazanavirCAS 1192224-24-0

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 102123-74-0tert-butyl N-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)carbamateCAS 128018-43-9Benzyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamateCAS 165727-45-71,1-Dimethylethyl N-((1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl)carbamateCAS 519-23-3EllipticineCAS 21829-25-4NifedipineCAS 23593-75-1ClotrimazoleCAS 4431-00-9Aurintricarboxylic AcidCAS 114-07-8ErythromycinCAS 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 acid

RFQ questions for CAS 26049-94-5

What are the key identifiers for (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone (CAS 26049-94-5)?

(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone is identified by CAS 26049-94-5, with molecular formula C18H18ClNO3, molecular weight 331.8, InChIKey OYHLRJGDELITAF-INIZCTEOSA-N.

Does CAS 26049-94-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cruzipain, Aldehyde dehydrogenase 1A1, Cysteine protease ATG4B, Cytochrome P450 3A4, Prelamin-A/C. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 26049-94-5?

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

Can I request supplier SDS for (3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 26049-94-5 available for quotation?

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