MI-2 - ≥98% , CAS No.1271738-62-5

CAS: 1271738-62-5 Cat. No.: M125261 Summenformel: C₁₈H₂₅N₅S₂ Molekulargewicht: 375.55

GRADE & PURITY ≥98%

Synonyms

4-[4-(5,5-dimethyl-4H-thiazol-2-yl)piperazin-1-yl]-6-propyl-thieno[2,3-d]pyrimidine | A899077 | Menin-MLL inhibitor 2 pound>>MI 2 pound>>MI2 | Menin-MLL inhibitor MI-2 | Menin-MLL Inhibitor 2 | MI-2, Menin-MLL inhibitor 2 | MI 2 (Menin-MLL Inhibitor) | BC

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

MI-2 (Menin-MLL-Inhibitor) ist ein potenter Inhibitor der Menin-MLL-Interaktion mit einer IC50 von 446 nM.

Specifications

Synonyme

4-[4-(5,5-dimethyl-4H-thiazol-2-yl)piperazin-1-yl]-6-propyl-thieno[2,3-d]pyrimidine | A899077 | Menin-MLL inhibitor 2 pound>>MI 2 pound>>MI2 | Menin-MLL inhibitor MI-2 | Menin-MLL Inhibitor 2 | MI-2, Menin-MLL inhibitor 2 | MI 2 (Menin-MLL Inhibitor) | BC

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

MI-2 ist ein Menin-MLL-Inhibitor, ein Inhibitor der Menin-MLL-Fusionsprotein-Interaktion, der spezifisch Menin mit nanomolarer Affinität bindet.Menin-MLL (Mixed linage leukemia)-Protein-Interaktions-Inhibitor (IC 50 = 0,45\xa0μM).\xa0\xa0Selektiv hemmt pr

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Hinweis

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Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528765459
• Kanonisches Lächeln: CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C
• IUPAC Name: 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
• InChIKey: SRQYLNYQAPCPIR-UHFFFAOYSA-N
• INCHI: 1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
• Isomere SMILES: CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C
• Molekulargewicht: 375.55
• Reaxy-Rn: 21253090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21253090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Thienopyrimidines Dialkylarylamines 2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Imidolactams Thiazolines Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Imidolactam - Meta-thiazoline - Thiophene - Heteroaromatic compound - Isothiourea - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

Zugehörige Ziele (menschlich)

MEN1 Tchem Menin (3 Activities)

Discover Target: MEN1

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

HL-60 (67320 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

MV4-11 (7307 Activities)

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

MEN1 Tchem Menin (447 Activities)

Discover Target: MEN1

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

MOLM-13 (2241 Activities)

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Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO
• Molekulargewicht: 375.600 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 375.155 Da
• Monoisotopic Mass: 375.155 Da
• Topological Polar Surface Area: 98.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 504.000
• 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