DPA-714 - ≥99% , CAS No.958233-07-3

CAS: 958233-07-3 Cat. No.: D649902 분자식: C22H27FN4O2 분자량: 398.47 PubChem CID: 24895172
주문 가능
등급 & 순도 ≥99%
Synonyms
FLZZFWBNYJNHMY-UHFFFAOYSA-N | EX-A3761 | DPA-714 | SCHEMBL2513934 | [18F]D | AKOS040741666 | Pyrazolo(1,5-a)pyrimidine-3-acetamide, N,N-diethyl-2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethyl- | Y1H4D2VKZD | HY-122607 | J2.865.885K | Pyrazolo[1,5-a]pyrimidine-3
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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수량
5mg
D649902-5mg
주문제작 · 8~12주

US$130.90

US$196.90
저장 US$66.00 (33.52%)
10mg
D649902-10mg
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US$220.90

US$331.90
저장 US$111.00 (33.44%)
50mg
D649902-50mg
주문제작 · 8~12주

US$751.90

US$1,127.90
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개요

DPA-714 is a high affinity translocator protein (TSPO) ligand ( K i =7 nM), which is designed with a fluorine atom in its structure, allowing labelling with fluorine -18 and in vivo imaging using positron emission tomography. 18F DPA-714 successfully evaluates for the specific imaging of inflammation in various models of neuroinflammation and in a brain tumor model

In Vivo

[18F]DPA-714 binding significantly increases in vivo as a result of AD‐like pathology and age in APP swe ×PS1 Δe9 mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Ki: 7 nM (TSPO)

사양

동의어
FLZZFWBNYJNHMY-UHFFFAOYSA-N | EX-A3761 | DPA-714 | SCHEMBL2513934 | [18F]D | AKOS040741666 | Pyrazolo(1,5-a)pyrimidine-3-acetamide, N,N-diethyl-2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethyl- | Y1H4D2VKZD | HY-122607 | J2.865.885K | Pyrazolo[1,5-a]pyrimidine-3
사양 및 순도
≥99%
생화학 및 생리적 메커니즘
DPA-714 is a high affinity translocator protein (TSPO) ligand ( K i =7 nM), which is designed with a fluorine atom in its structure, allowing labelling with fluorine -18 and in vivo imaging using positron emission tomography. 18F DPA-714 successfully eval
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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순수함
≥99%
이름과 식별자
정식 스마일
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)C
IUPAC Name
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
InChIKey
FLZZFWBNYJNHMY-UHFFFAOYSA-N
INCHI
1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
이성체 SMILES
CCN(CC)C(=O)CC1=C2N=C(C=C(N2N=C1C3=CC=C(C=C3)OCCF)C)C
대체 CAS
958233-07-3
PubChem CID
24895172
MeSH 용어
DPA 714;DPA-714;DPA714;N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
분자량
398.47

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Azoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Pyrazolo[1,5-a]pyrimidines  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Pyrimidines and pyrimidine derivatives  Tertiary carboxylic acid amides  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Tspo Peripheral-type benzodiazepine receptor (243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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 : 41.67 mg/mL (104.57 mM; Need ultrasonic)
분자량398.500 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass398.212 Da
Monoisotopic Mass398.212 Da
Topological Polar Surface Area59.700 Ų
Heavy Atom Count29
Formal Charge0
Complexity525.000
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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