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

CAS: 1610964-64-1 Cat. No.: U414200 分子式: C19H13F5N6   分子量: 420.34 PubChem CID: 74223469
注文可能
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
ドイツ (EU)*
Price
Qty
1mg
U414200-1mg
受注生産 · 8~12週間
$119.90
5mg
U414200-5mg
3 在庫あり
—
$417.90
10mg
U414200-10mg
1 在庫あり
—
$644.90
25mg
U414200-25mg
2 在庫あり
—
$938.90
50mg
U414200-50mg
2 在庫あり
—
$1,392.90
100mg
U414200-100mg
2 在庫あり
—
$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.

概要

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

同義語
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
仕様と純度
≥99%
生化学的・生理学的メカニズム
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
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
純度
≥99%
製品の性質
ALogP
5.366
HBD数
2
回転可能な結合
4
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/504772357
カノニカル・スマイル
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)
異性体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
分子量
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
分類Benzene 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
説明This 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
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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 Type日付商品
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
化学的性質と物理的性質
溶解度Solubility (25°C) In vitro DMSO: 84 mg/mL (199.83 mM); Ethanol: 7 mg/mL (16.65 mM); Water: Insoluble;
DMSO(mg / mL) 最大溶解度84
DMSO(mM) 最大溶解度199.83822619784
水(mg / mL) 最大溶解度<1
分子量420.300 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
ソリューション計算機
レビュー

顧客レビュー

よくある質問

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.

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.