Unesbulin (PTC596) - ≥99% , CAS No.1610964-64-1

CAS: 1610964-64-1 Cat. No.: U414200 분자식: C19H13F5N6   분자량: 420.34 PubChem CID: 74223469
주문 가능
GRADE & PURITY ≥99%
Synonyms
UNESBULIN [INN] | AC-32587 | UNII-Z4HZ70S62Q | 5-FLUORO-2-(6-FLUORO-2-METHYL-1H-BENZIMIDAZOL-1-YL)-N4-(4-(TRIFLUOROMETHYL)PHENYL)-4,6-PYRIMIDINEDIAMINE | 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
1mg
U414200-1mg
주문제작 · 8~12주
US$119.90
5mg
U414200-5mg
3 재고 있음
—
US$417.90
10mg
U414200-10mg
1 재고 있음
—
US$644.90
25mg
U414200-25mg
2 재고 있음
—
US$938.90
50mg
U414200-50mg
2 재고 있음
—
US$1,392.90
100mg
U414200-100mg
2 재고 있음
—
US$2,088.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

Unesbulin (PTC596) Unesbulin (PTC596) is a second-generation BMI-1 inhibitor that accelerates BMI-1 degradation. PTC596 downregulates MCL-1 and induces p53-independent mitochondrial apoptosis . IC50 values at 72 hours ranged from 68 to 340 nM in mantle cell lymphoma (MCL) cell lines.


Targets

BMI-1


In vitro

PTC596 induces mitochondrial apoptosis in BMI-1-expressing MCL cells in a p53-independent manner. MCL SP cells were susceptible to PTC596-induced apoptosis.


In vivo

PTC596 inhibits myeloid leukemia cell growth in vivo while sparing normal hematopoietic cells.


Cell Research(from reference)

Cell lines:Z-138 and REC-1 cells 

Concentrations:300 nM 

Incubation Time:24 h 

Specifications

동의어
UNESBULIN [INN] | AC-32587 | UNII-Z4HZ70S62Q | 5-FLUORO-2-(6-FLUORO-2-METHYL-1H-BENZIMIDAZOL-1-YL)-N4-(4-(TRIFLUOROMETHYL)PHENYL)-4,6-PYRIMIDINEDIAMINE | 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
사양 및 순도
≥99%
생화학 및 생리적 메커니즘
Unesbulin (PTC596) is a second-generation BMI-1 inhibitor that accelerates BMI-1 degradation. PTC596 downregulates MCL-1 and induces p53-independent mitochondrial apoptosis. IC50 values at 72 hours ranged from 68 to 340 nM in mantle cell lymphoma (MCL) ce
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥99%
제품 특성
ALogP
5.366
HBD 수
2
회전 가능한 결합
4
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772357
정식 스마일
CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)F
IUPAC Name
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
InChIKey
TWLWOOPCEXYVBE-UHFFFAOYSA-N
INCHI
1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)
이성체 SMILES
CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)F
PubChem CID
74223469
분자량
420.34

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
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents Benzimidazoles  Aniline and substituted anilines  Halopyrimidines  Aminopyrimidines and derivatives  N-substituted imidazoles  Imidolactams  Aryl fluorides  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Trifluoromethylbenzene - Benzimidazole - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate Type날짜항목
I2614007Certificate of AnalysisSep 24, 2026 U414200
C23081336Certificate of AnalysisDec 10, 2025 U414200
C23081338Certificate of AnalysisDec 10, 2025 U414200
C23081339Certificate of AnalysisDec 10, 2025 U414200
C23081345Certificate of AnalysisDec 10, 2025 U414200
C23081560Certificate of AnalysisDec 10, 2025 U414200
화학 및 물리적 특성
용해성Solubility (25°C) In vitro DMSO: 84 mg/mL (199.83 mM); Ethanol: 7 mg/mL (16.65 mM); Water: Insoluble;
DMSO(mg/mL) 최대 용해도84
DMSO(mM) 최대 용해도199.83822619784
물(mg/mL) 최대 용해도<1
분자량420.300 g/mol
XLogP34.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass420.112 Da
Monoisotopic Mass420.112 Da
Topological Polar Surface Area81.700 Ų
Heavy Atom Count30
Formal Charge0
Complexity586.000
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
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리뷰

고객 리뷰

자주 묻는 질문

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1610964-64-1, the molecular formula is C19H13F5N6 ?, and the molecular weight is 420.34 g/mol. InChIKey TWLWOOPCEXYVBE-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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