SIAIS178 - ≥99% , CAS No.2376047-73-1

Name: SIAIS178 - ≥99% , CAS No.2376047-73-1
SKU: S648459
Availability: InStock

CAS: 2376047-73-1 Cat. No.: S648459 분자식: C₅₀H₆₂ClN₁₁O₆S₂ 분자량: 1012.68 PubChem CID: 139474625

COA

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SIAIS178 - ≥99% CAS No(2376047-73-1) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

PROTAC

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

개요

SIAIS178 is a potent and selective BCR-ABL degrader based on PROTAC technology with an IC 50 of 24 nM. SIAIS178 causes effective degradation of BCR-ABL protein by recruiting Von Hippel-Lindau (VHL) E3 ubiquitin ligase. SIAIS178 has anticancer activity

In Vitro

SIAIS178 (1-100 nM; for 16 hours) significantly reduces the BCR-ABL protein levels in a concentration dependent manner. SIAIS178 significantly inhibits the phosphorylation of BCR-ABL and the substrates STAT5. SIAIS178 (1, 10, 100, 1000 nM) exerts significant antiproliferative activity in BCR-ABL driven CML cell lines. SIAIS178 retains potency and selectivity against the BCR-ABL driven cell lines. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: K562 cells Concentration: 1, 3, 10, 30, 100 nM Incubation Time: 16 hours Result: Significantly reduced the BCR-ABL protein levels in a concentration dependent manner.

In Vivo

SIAIS178 (ip; 5, 15, and 45 mg/kg; 12 days) attenuates tumor progression in a dose-dependent manner, as determined by serial volumetric measurement . SIAIS178 (iv or ip; 2 mg/kg; 24 hours) has T 1/2 of 3.82 and 12.35 hours and C max of 1165.2 nM and 30 nM for iv and ip, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: NOD/SCID mice with termed K562-Luc Dosage: 5, 15, and 45 mg/kg Administration: Ip; 12 days Result: Attenuated tumor progression in a dose-dependent manner, as determined by serial volumetric measurement. Animal Model: Female Wistar rats Dosage: 2 mg/kg (Pharmacokinetic Analysis) Administration: Iv or ip; 24 hours Result: Had T 1/2 of 3.82 and 12.35 hours and C max of 1165.2 nM and 30 nM for iv and ip, respectively.

Form:Solid

IC50& Target:VHL Bcr-Abl 24 nM (IC 50 )

Specifications

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

정식 스마일	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)C(=O)CCCCCCC(=O)NC(C(=O)N5CC(CC5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C
IUPAC Name	N-(2-chloro-6-methylphenyl)-2-[[6-[4-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctanoyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
InChIKey	YGQREOJIRFCRKQ-ZIBKGDFVSA-N
INCHI	1S/C50H62ClN11O6S2/c1-30-12-11-13-36(51)43(30)59-47(67)38-27-53-49(70-38)57-39-25-40(56-32(3)55-39)60-20-22-61(23-21-60)42(65)15-10-8-7-9-14-41(64)58-45(50(4,5)6)48(68)62-28-35(63)24-37(62)46(66)52-26-33-16-18-34(19-17-33)44-31(2)54-29-69-44/h11-13,16-19,25,27,29,35,37,45,63H,7-10,14-15,20-24,26,28H2,1-6H3,(H,52,66)(H,58,64)(H,59,67)(H,53,55,56,57)/t35-,37+,45-/m1/s1
이성체 SMILES	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)C(=O)CCCCCCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C
PubChem CID	139474625
분자량	1012.68

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.

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🔬 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
  - 분류 Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
분류	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	Aromatic anilides Valine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives N-arylpiperazines Alpha amino acid amides Thiazolecarboxamides Pyrrolidinecarboxamides N-acylpyrrolidines Dialkylarylamines Chlorobenzenes Aminopyrimidines and derivatives 2,5-disubstituted thiazoles N-acyl amines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Secondary amines Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-dipeptide - Aromatic anilide - Valine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - N-arylpiperazine - Alpha-amino acid amide - Alpha-amino acid or derivatives - Dialkylarylamine - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Tertiary aliphatic/aromatic amine - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Halobenzene - Chlorobenzene - Aminopyrimidine - 2,5-disubstituted 1,3-thiazole - Fatty acyl - Imidolactam - Benzenoid - Pyrimidine - Piperazine - N-acyl-amine - Fatty amide - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Tertiary amine - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
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

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