UNC2025 HCl - ≥99% , CAS No.2070015-17-5

CAS: 2070015-17-5 Cat. No.: U413786 Summenformel: C₂₈H₄₁ClN₆O Molekulargewicht: 513.12 PubChem CID: 92044362

QUALITÄT & REINHEIT ≥99%

Synonyms

UNC2025 hydrochloride(1r,4r)-4-(2-(butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

UNC2025 HCl UNC2025 HCl is a potent and orally bioavailable dual MER/FLT3 inhibitor with IC50 of 0.74 nM and 0.8 nM, respectively, about 20-fold selectivity over Axl and Tyro3.

Targets

Mer (Cell-free assay); FLT3 (Cell-free assay); Axl (Cell-free assay); Tyro3 (Cell-free assay) 0.74 nM ;0.8 nM; 14 nM; 17 nM

In vitro

In 697 B-ALL cells, UNC-2025 potently inhibits Mer phosphorylation with IC50 of 2.7 nM. In A549 NSCLC and Molm-14 AML cell lines, UNC-2025 causes significant inhibition of colony formation dependent on Mer8 and Flt3. In H2228 and H1299 cell lines, UNC-2025 inhibits MERTK oncogenic signaling downstream, such as basal and stimulated pAKT and pERK1/2. In four NSCLC cell lines, UNC-2025 also induces apoptotic cell death, and decreases colony formation.

In vivo

In mice bearing 697 acute leukemia tumors, UNC-2025 (3 mg/kg, p.o.) shows good solubility and DMPK properties, and results in effective target inhibition. In mice bearing H2228 or A549 tumors, UNC-2025 (50 mg/kg, p.o.) inhibits tumor growth.

Spezifikationen

Synonyme

UNC2025 hydrochloride(1r,4r)-4-(2-(butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol hydrochloride

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

UNC2025 HCl is a potent and orally bioavailable dual MER/FLT3 inhibitor with IC50 of 0.74 nM and 0.8 nM, respectively, about 20-fold selectivity over Axl and Tyro3.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Produkteigenschaften

ALogP

4.96

HBD-Zahl

2

Rotationsfähige Bindung

8

Namen und Kennungen

Kanonisches Lächeln

CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)C.Cl

IUPAC Name

4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;hydrochloride

InChIKey

NYHAEAZNSGIAPV-UHFFFAOYSA-N

INCHI

1S/C28H40N6O.ClH/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33;/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31);1H

Isomere SMILES

CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)C.Cl

PubChem CID

92044362

Molekulargewicht

513.12

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: Solubility (25°C) In vitro Water: 100 mg/mL (194.88 mM); DMSO: 25 mg/mL warmed with 50ºC Water: bath (48.72 mM); Ethanol: 8 mg/mL warmed with 50ºC Water: bath (15.59 mM)
• DMSO (mg/ml) Maximale Löslichkeit: 25
• DMSO (mM) Maximale Löslichkeit: 48.72154662
• Wasser (mg/ml) Maximale Löslichkeit: 100
• Wasser (mM) Maximale Löslichkeit: 194.8861865
• Molekulargewicht: 513.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 512.303 Da
• Monoisotopic Mass: 512.303 Da
• Topological Polar Surface Area: 69.500 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 627.000
• 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: 2

XLogP3

Häufig gestellte Fragen

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 2070015-17-5, the molecular formula is C28H41ClN6O, and the molecular weight is 513.12 g/mol. InChIKey NYHAEAZNSGIAPV-UHFFFAOYSA-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.