GDC-0339 - ≥99% , CAS No.1428569-85-0

CAS: 1428569-85-0 Cat. No.: G646647 Peso molecular: 465.50 PubChem CID: 73603034
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
UNII-2PRJ7DX38T | 5-Amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Estado
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Qty
1mg
G646647-1mg
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5mg
G646647-5mg
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10mg
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50mg
G646647-50mg
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100mg
G646647-100mg
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

GDC-0339 is a potent, orally bioavailable and well tolerated pan-Pim kinase inhibitor, with K i s of 0.03 nM, 0.1 nM and 0.02 nM for Pim1 , Pim2 and Pim3 , respectively. GDC-0339 is discovered as a potential treatment of multiple myeloma

In Vitro

GDC-0339 is cytostatic, with an IC 50 of 0.1 μM for MM.1S cells. GDC-0339 treatment reveals a constellation of Pim downstream signaling events consistent with inhibition of Pim kinases. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MM.1S cells Concentration: Incubation Time: 3 days Result: Inhibited cell viability. Western Blot AnalysisCell Line: MM.1S cells Concentration: 0.01 μM, 0.03 μM, 0.09 μM,0.27 μM, 0.83 μM, 2.5 μM Incubation Time: 4 hours Result: Induced a constellation of Pim downstream signaling events consistent with inhibition of Pim kinases.

In Vivo

GDC-0339 (1-300 mg/kg; p.o; daily; for 21 days) is efficacious in RPMI8226 and MM.1S human multiple myeloma xenograft mouse models. GDC-0339 has a half-life of t1/2=0.9 h. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female C.B-17 SCID mice, RPMI8226 human multiple myeloma xenograft mouse modelDosage: 1mg/kg, 10 mg/kg, 50 mg/kg, 100 mg/kg, 200 mg/kg, 300 mg/kg Administration: Oral administration; once daily; for 21 days Result: Showed dose-dependent tumor growth inhibition.

Form:Solid

IC50& Target:Ki: 0.03 nM (Pim1), 0.1 nM (Pim2), 0.02 nM (Pim3)

Specifications

Sinónimos
UNII-2PRJ7DX38T | 5-Amino-N-(5-((4R, 5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2, 6-difluorophenyl)thiazole-4-carboxamide | 5-amino-N-{5-[(4R, 5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2, 6-difluorophenyl)-1, 3-thiazole-
Especificaciones y pureza
≥99%
Mecanismos bioquímicos y fisiológicos
GDC-0339 is a potent, orally bioavailable and well tolerated pan-Pim kinase inhibitor, with K i s of 0.03 nM, 0.1 nM and 0.02 nM for Pim1 , Pim2 and Pim3 , respectively. GDC-0339 is discovered as a potential treatment of multiple myeloma.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasCN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CCC(C(CC4)F)N
IUPAC Name5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
InChIKeyNHXVGMQFCYBLTL-ZWNOBZJWSA-N
INCHI1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
Isómeros SMILES CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CC[C@H]([C@@H](CC4)F)N
CAS alternativo 1428569-85-0
PubChem CID 73603034
Peso molecular 465.50

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassThiazoles
Intermediate Tree Nodes Thiazolecarboxylic acids and derivatives
Direct ParentThiazolecarboxamides
Alternative Parents 2,4,5-trisubstituted thiazoles  2-heteroaryl carboxamides  Dialkylarylamines  Azepanes  Fluorobenzenes  Aminothiazoles  Aryl fluorides  Heteroaromatic compounds  Pyrazoles  Vinylogous amides  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Hydrocarbon derivatives  Organofluorides  Organooxygen compounds  Alkyl fluorides  Monoalkylamines  Organic oxides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Dialkylarylamine - Thiazolecarboxamide - Azepane - Fluorobenzene - Halobenzene - 1,3-thiazolamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Alkyl halide - Alkyl fluoride - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PIM1 Tchem Serine/threonine-protein kinase pim-1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PIM2 Tchem Serine/threonine-protein kinase pim-2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PIM3 Tchem Serine/threonine-protein kinase pim-3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM2 Tchem Serine/threonine-protein kinase PIM2 (5873 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM3 Tchem Serine/threonine-protein kinase PIM3 (4133 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP4K4 Tchem Mitogen-activated protein kinase kinase kinase kinase 4 (2886 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIM1 Tchem Serine/threonine-protein kinase PIM (115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Drd5 Dopamine receptor (1304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : ≥ 52 mg/mL (111.71 mM)
Peso molecular465.500 g/mol
XLogP33.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass465.156 Da
Monoisotopic Mass465.156 Da
Topological Polar Surface Area143.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity657.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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