PHT-427 - Moligand™, ≥98% , Inhibitor of 3-phosphoinositide dependent protein kinase 1;Inhibitor of AKT serine/threonine kinase 2, CAS No.1191951-57-1, Inhibitor of 3-phosphoinositide dependent protein kinase 1;Inhibitor of AKT serine/threonine kinase 2

CAS: 1191951-57-1 Cat. No.: P127286 분자식: C₂₀H₃₁N₃O₂S₂ 분자량: 409.61

등급 & 순도 Moligand™, ≥98%

Synonyms

J-515259 | PHT427 | PHT-427 | HB1251 | AS-69526 | AC-30264 | CCG-268762 | SB17376 | BP-30156 | BYWWNRBKPCPJMG-UHFFFAOYSA-N | J-004083 | HY-12063 | 4-Dodecyl-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide | 4-Dodecyl-N-1,3,4-thiadiazol-2-yl-benzenesulfonamide |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

PHT-427 is a dual Akt and PDPK1 inhibitor (high affinity binding for the PH domains of Akt and PDPK1) with Ki of 2.7 μM and 5.2 μM, respectively
A pleckstrin homology domain inhibitor to Akt and PKB Kinase (PDPK1).

사양

동의어

J-515259 | PHT427 | PHT-427 | HB1251 | AS-69526 | AC-30264 | CCG-268762 | SB17376 | BP-30156 | BYWWNRBKPCPJMG-UHFFFAOYSA-N | J-004083 | HY-12063 | 4-Dodecyl-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide | 4-Dodecyl-N-1,3,4-thiadiazol-2-yl-benzenesulfonamide |

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Dual Akt and PDK1 inhibitor; binds the pleckstrin homology (PH) domain of Akt and PDK1 (Kivalues are 2.7 and 5.2μM, respectively). Inhibits Akt phosphorylation and Akt downstream targets; also induces apoptosisin vitro. Displays synergistic antitumor effe

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of 3-phosphoinositide dependent protein kinase 1;Inhibitor of AKT serine/threonine kinase 2

순수함

≥98%

이름과 식별자

Pubchem Sid

528766637

정식 스마일

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2

IUPAC Name

4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

InChIKey

BYWWNRBKPCPJMG-UHFFFAOYSA-N

INCHI

1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)

이성체 SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2

분자량

409.61

Reaxy-Rn

19687633

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19687633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Organosulfonamides Thiadiazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Aminosulfonyl compound - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

관련 대상(인간)

AKT2 Tchem RAC-beta serine/threonine-protein kinase (1 Activities)

Discover Target: AKT2

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

PDPK1 Tchem 3-phosphoinositide-dependent protein kinase 1 (1 Activities)

Discover Target: PDPK1

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

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

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

BXPC-3 (2997 Activities)

Explore this target

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

T47D (39041 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

관련 대상(비인간)

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

Akt1 RAC-alpha serine/threonine-protein kinase (147 Activities)

Discover Target: Akt1

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

Irs1 Insulin receptor substrate 1 (6 Activities)

Discover Target: Irs1

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 40.96, Max Conc. mM: 100
• 분자량: 409.600 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 409.186 Da
• Monoisotopic Mass: 409.186 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 474.000
• 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