Spautin-1 - ≥98%(HPLC) , CAS No.1262888-28-7

CAS: 1262888-28-7 Cat. No.: S166799 分子式: C₁₅H₁₁F₂N₃ 分子量: 271.26 EC番号: 802-904-8 PubChem CID: 51037431

GRADE & PURITY ≥98%(HPLC)

Synonyms

A889470 | CS1815 | MBCQ derivative C43 | NCGC00263555-05 | deoxy-ATP, 2'-deoxyadenosine triphosphate, Deoxyadenosine 5'-triphosphate | EN300-93027 | P2613 | Spautin-1 | CCG-267171 | 6-Fluoro-N-(4-fluorobenzyl)quinazolin-4-amine | HMS3871D13 | EN300-172107

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Product Application：

Spautin-1 has been used as an autophagy inhibitor: to study its effects on vascular, glial, and neuronal alterations in the oxygen-induced retinopathy mouse model; to evaluate its pre-treatment effect on the response of canine osteosarcoma cells to doxorubicin; to study its effects on the production of interleukin (IL)-6 by oxidatively stressed dendritic cells (OS-DCs) in Luminex assay.

Specifications

同義語

A889470 | CS1815 | MBCQ derivative C43 | NCGC00263555-05 | deoxy-ATP, 2'-deoxyadenosine triphosphate, Deoxyadenosine 5'-triphosphate | EN300-93027 | P2613 | Spautin-1 | CCG-267171 | 6-Fluoro-N-(4-fluorobenzyl)quinazolin-4-amine | HMS3871D13 | EN300-172107

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Specific and potent autophagy inhibitor-1 (Spautin-1) is a small molecule, which can inhibit autophagy and induce cancer cell death. It inhibits autophagy by degrading beclin-1. Spautin-1 augments the efficiency of radiation therapy and chemotherapy in va

保管条件

Store at -20°C,Argon charged

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。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504771006

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771006

カノニカル・スマイル

C1=CC(=CC=C1CNC2=NC=NC3=C2C=C(C=C3)F)F

IUPAC Name

6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine

InChIKey

AWIVHRPYFSSVOG-UHFFFAOYSA-N

INCHI

1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)

異性体SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2C=C(C=C3)F)F

WGKドイツ

3

PubChem CID

51037431

分子量

271.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Benzylamines Fluorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Benzylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• External Descriptors: Not available

Data sources

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

関連ターゲット（人間）

USP13 Tchem Ubiquitin carboxyl-terminal hydrolase 13 (1 Activities)

Discover Target: USP13

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

USP10 Tchem Ubiquitin carboxyl-terminal hydrolase 10 (1 Activities)

Discover Target: USP10

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MIA PaCa-2 (5949 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PC-9 (1037 Activities)

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HeLa (62764 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIK3C3 Tchem Phosphatidylinositol 3-kinase catalytic subunit type 3 (535 Activities)

Discover Target: PIK3C3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP10 Tchem Ubiquitin carboxyl-terminal hydrolase 10 (5 Activities)

Discover Target: USP10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP13 Tchem Ubiquitin carboxyl-terminal hydrolase 13 (2 Activities)

Discover Target: USP13

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: heat & air sensitive
• 融点（°C）: 211 °C
• 分子量: 271.260 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 271.092 Da
• Monoisotopic Mass: 271.092 Da
• Topological Polar Surface Area: 37.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1