NSC 668036 - ≥98%(HPLC) , CAS No.144678-63-7

Name: NSC 668036 - ≥98%(HPLC) , CAS No.144678-63-7
SKU: N286922
Availability: InStock

CAS: 144678-63-7 Cat. No.: N286922 Summenformel: C₂₁H₃₆N₂O₉ Molekulargewicht: 460.52

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GRADE & PURITY ≥98%(HPLC)

Synonyms

N-[(1,1-Dimethylethoxy)carbonyl]-L-Alanyl-(2S)-2-hydroxy-3-methylbutanoyl-L-alanin-(1S)-1-carboxy-2-methylpropylester

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen Häufig gestellte Fragen

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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Lagerung bei -20°C Ships Eistruhe + Eispads 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

Synonyme

N-[(1,1-Dimethylethoxy)carbonyl]-L-Alanyl-(2S)-2-hydroxy-3-methylbutanoyl-L-alanin-(1S)-1-carboxy-2-methylpropylester

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Wnt-Signalisierungs-Inhibitor. Bindet die PDZ-Domäne des Dishevelled (Dvl)-Proteins. Hemmt die Proliferation, Migration und TGF-β-induzierte Differenzierung von Fibroblasten in vitro. Reduziert den Schweregrad der Lungenfibrose in einem Mausmodell.

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

INHIBITOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

Kanonisches Lächeln	CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C
IUPAC Name	3-methyl-2-[2-[[3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]butanoyl]amino]propanoyloxy]butanoic acid
InChIKey	IPICFSFUAKDZEI-UHFFFAOYSA-N
INCHI	1S/C21H36N2O9/c1-10(2)14(30-19(28)13(6)23-20(29)32-21(7,8)9)16(24)22-12(5)18(27)31-15(11(3)4)17(25)26/h10-15H,1-9H3,(H,22,24)(H,23,29)(H,25,26)
Isomere SMILES	CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C
Molekulargewicht	460.52
Reaxy-Rn	15025672
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15025672&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

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Klasse Peptidomimetics
    - Subclass Depsipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Klasse	Peptidomimetics
Subclass	Depsipeptides
Intermediate Tree Nodes	Not available
Direct Parent	Depsipeptides
Alternative Parents	N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alanine and derivatives Tricarboxylic acids and derivatives N-acyl amines Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Depsipeptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Carbamic acid ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

Zugehörige Ziele (menschlich)

ACHN (49357 Activities)

Löslichkeit	Solvent:DMSO, Max Conc. mg/mL: 46.05, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 46.05, Max Conc. mM: 100
Molekulargewicht	460.500 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Exact Mass	460.242 Da
Monoisotopic Mass	460.242 Da
Topological Polar Surface Area	157.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	698.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

NSC 668036 - ≥98%(HPLC) , CAS No.144678-63-7

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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