MDVN1003

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407431

CAS#: 2058116-52-0

Description: MDVN1003 is a potent inhibitor of BTK amd PI3K delta. MDVN1003 inhibits Bruton's tyrosine kinase (BTK) and phosphatidylinositol-3-kinase delta (PI3Kδ), two proteins regulated by the B cell receptor (BCR) that drive the growth of many NHLs. MDVN1003 induces cell death in a B cell lymphoma cell line but not in an irrelevant erythroblast cell line.

Chemical Structure

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MDVN1003
CAS# 2058116-52-0
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407431
Name: MDVN1003
CAS#: 2058116-52-0
Chemical Formula: C22H20FN7O
Exact Mass: 417.17
Molecular Weight: 417.448
Elemental Analysis: C, 63.30; H, 4.83; F, 4.55; N, 23.49; O, 3.83

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 2058116-52-0 (+); 2058116-54-2 (-)    

Synonym: MDVN1003; MDVN-1003; MDVN 1003.

IUPAC/Chemical Name: 1-(5-amino-2,3-dihydro-1H-inden-2-yl)-3-(8-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

InChi Key: ULJLSBKQZMEISX-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28)

SMILES Code: NC1=C2C(N(C3CC(C=CC(N)=C4)=C4C3)N=C2C5=CC(NCCO6)=C6C(F)=C5)=NC=N1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
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Biological target: MDVN1003 is a potent inhibitor of BTK amd PI3K delta.
In vitro activity: This study discovered a single molecule, MDVN1003 (1-(5-amino-2,3-dihydro-1H-inden-2-yl)-3-(8-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine), that inhibits Bruton's tyrosine kinase and phosphatidylinositol-3-kinase δ, two proteins regulated by the B cell receptor that drive the growth of many NHLs. This dual inhibitor prevents the activation of B cells and inhibits the phosphorylation of protein kinase B and extracellular signal-regulated kinase 1/2, two downstream mediators that are important for this process. Reference: J Pharmacol Exp Ther. 2017 May;361(2):312-321. https://pubmed.ncbi.nlm.nih.gov/28298527/
In vivo activity: This orally bioavailable dual inhibitor (MDVN1003) reduced tumor growth in a B cell lymphoma mouse xenograft model more effectively than either ibrutinib or idelalisib. Taken together, these results suggest that dual inhibition of these two key pathways by a single molecule could be a viable approach for treatment of NHL patients. Reference: J Pharmacol Exp Ther. 2017 May;361(2):312-321. https://pubmed.ncbi.nlm.nih.gov/28298527/

Preparing Stock Solutions

The following data is based on the product molecular weight 417.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Alfaro J, Pérez de Arce F, Belmar S, Fuentealba G, Avila P, Ureta G, Flores C, Acuña C, Delgado L, Gaete D, Pujala B, Barde A, Nayak AK, Upendra TVR, Patel D, Chauhan S, Sharma VK, Kanno S, Almirez RG, Hung DT, Chakravarty S, Rai R, Bernales S, Quinn KP, Pham SM, McCullagh E. Dual Inhibition of Bruton's Tyrosine Kinase and Phosphoinositide-3-Kinase p110δ as a Therapeutic Approach to Treat Non-Hodgkin's B Cell Malignancies. J Pharmacol Exp Ther. 2017 May;361(2):312-321. doi: 10.1124/jpet.116.238022. Epub 2017 Mar 15. PMID: 28298527.
In vitro protocol: Alfaro J, Pérez de Arce F, Belmar S, Fuentealba G, Avila P, Ureta G, Flores C, Acuña C, Delgado L, Gaete D, Pujala B, Barde A, Nayak AK, Upendra TVR, Patel D, Chauhan S, Sharma VK, Kanno S, Almirez RG, Hung DT, Chakravarty S, Rai R, Bernales S, Quinn KP, Pham SM, McCullagh E. Dual Inhibition of Bruton's Tyrosine Kinase and Phosphoinositide-3-Kinase p110δ as a Therapeutic Approach to Treat Non-Hodgkin's B Cell Malignancies. J Pharmacol Exp Ther. 2017 May;361(2):312-321. doi: 10.1124/jpet.116.238022. Epub 2017 Mar 15. PMID: 28298527.
In vivo protocol: Alfaro J, Pérez de Arce F, Belmar S, Fuentealba G, Avila P, Ureta G, Flores C, Acuña C, Delgado L, Gaete D, Pujala B, Barde A, Nayak AK, Upendra TVR, Patel D, Chauhan S, Sharma VK, Kanno S, Almirez RG, Hung DT, Chakravarty S, Rai R, Bernales S, Quinn KP, Pham SM, McCullagh E. Dual Inhibition of Bruton's Tyrosine Kinase and Phosphoinositide-3-Kinase p110δ as a Therapeutic Approach to Treat Non-Hodgkin's B Cell Malignancies. J Pharmacol Exp Ther. 2017 May;361(2):312-321. doi: 10.1124/jpet.116.238022. Epub 2017 Mar 15. PMID: 28298527.

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1: Alfaro J, Perez de Arce F, Belmar S, Fuentealba G, Avila P, Ureta G, Flores C, Acuna C, Delgado L, Gaete D, Pujala B, Barde A, Nayak AK, Upendra T, Patel D, Chauhan S, Sharma VK, Kanno S, Almirez RG, Hung DT, Chakravarty S, Rai R, Bernales S, Quinn KP, Pham SM, McCullagh E. Dual Inhibiton of Bruton's Tyrosine Kinase and Phosphoinositide-3-Kinase p110δ as a Therapeutic Approach to Treat non-Hodgkin's B cell Malignancies. J Pharmacol Exp Ther. 2017 Mar 15. pii: jpet.116.238022. doi: 10.1124/jpet.116.238022. [Epub ahead of print] PubMed PMID: 28298527.