TAS-114 - ≥99% , CAS No.1198221-21-4

CAS: 1198221-21-4 Cat. No.: T649333 분자식: C21H29N3O6S 분자량: 451.54 PubChem CID: 53630253
주문 가능
GRADE & PURITY ≥99%
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
1mg
T649333-1mg
주문제작 · 8~12주
US$198.90
5mg
T649333-5mg
주문제작 · 8~12주
US$580.90
10mg
T649333-10mg
주문제작 · 8~12주
US$920.90
50mg
T649333-50mg
주문제작 · 8~12주
US$2,800.90
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 2-8°C Ships Wet ice 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

TAS-114 is an orally active dual dUTPase/dihydropyrimidine dehydrogenase (DPD) inhibitor, can improving the therapeutic efficacy of fluoropyrimidine

In Vitro

TAS-114 (1-10 μM; 72 hours) increases the cytotoxicity of 5-Fluorouracil (5-FU) and 5-FU,2′-deoxy-5-fluorouridine (FdUrd) against various cancer cell lines in dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cytotoxicity AssayCell Line: HeLa, NUGC-4, NCI-H441, HT-29, CFPAC-1, and MCF-7 cell lines Concentration: 72 hours Incubation Time: 1 μM, 3 μM, and 10 μM Result: Clearly increased the cytotoxicity of FdUrd and 5-FU against various cancer cell lines in dose-dependent manner.

In Vivo

TAS-114 (37.5-1,200 mg/kg/day; orally; 1-14 days) increases the antitumor activity of 5-FU when co-administers with Capecitabine (539 mg/kg/day) in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: BALB/c nude mice with MX-1 human breast cancer xenografts Dosage: 37.5 to 1,200 mg/kg/day Administration: Orally; daily; 1-14 days Result: Decreased the tolerable doses of Capecitabine (539 mg/kg/day) in a dose-dependent manner in mice.

Form:Solid

IC50& Target:dUTPase, DPD

Specifications

사양 및 순도
≥99%
생화학 및 생리적 메커니즘
TAS-114 is an orally active dual dUTPase/dihydropyrimidine dehydrogenase (DPD) inhibitor, can improving the therapeutic efficacy of fluoropyrimidine.
보관 조건
Store at 2-8°C
배송
Wet ice
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순수함
≥99%
이름과 식별자
정식 스마일
CC(C1=CC(=CC=C1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O
IUPAC Name
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-[(2,4-dioxopyrimidin-1-yl)methoxy]propane-1-sulfonamide
InChIKey
AMCGLRWKUQPNKD-MRXNPFEDSA-N
INCHI
1S/C21H29N3O6S/c1-16(17-6-4-9-19(14-17)30-18-7-2-3-8-18)23-31(27,28)13-5-12-29-15-24-11-10-20(25)22-21(24)26/h4,6,9-11,14,16,18,23H,2-3,5,7-8,12-13,15H2,1H3,(H,22,25,26)/t16-/m1/s1
이성체 SMILES
C[C@H](C1=CC(=CC=C1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O
PubChem CID
53630253
MeSH 용어
N-((1R)-1-(3-(Cyclopentyloxy)-phenyl)-ethyl)-3-((3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy)-1-propanesulfonamide;TAS-114
분자량
451.54

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
분류Phenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Alkyl aryl ethers  Pyrimidones  Hydropyrimidines  Organic sulfonamides  Organosulfonamides  Aminosulfonyl compounds  Vinylogous amides  Heteroaromatic compounds  Lactams  Ureas  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Organic sulfonic acid amide - Organosulfonic acid amide - Pyrimidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Lactam - Urea - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
DUT Tchem Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
용해성DMSO : 100 mg/mL (221.46 mM; Need ultrasonic)
분자량451.500 g/mol
XLogP31.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass451.178 Da
Monoisotopic Mass451.178 Da
Topological Polar Surface Area122.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity745.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
솔루션 계산기
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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships chilled on wet ice. 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 1198221-21-4, the molecular formula is C21H29N3O6S, and the molecular weight is 451.54 g/mol. InChIKey AMCGLRWKUQPNKD-MRXNPFEDSA-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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