VTP50469 free base
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MedKoo CAT#: 533776

CAS#: 2169916-18-9 (free base)

Description: VTP-50469 is a novel, potent, selective, orally-available Menin MLL1 inhibitor, being effectively against MLL-rearranged and NPM1c+ leukemia, selectively killing cell lines with MLL rearrangements and NPM1c+ mutations. Cell lines carrying MLL rearrangements were selectively responsive to VTP50469. VTP50469 displaced Menin from protein complexes and inhibited chromatin occupancy of MLL at select genes. Loss of MLL binding led to changes in gene expression, differentiation, and apoptosis. Patient-derived xenograft (PDX) models derived from patients with either MLL-r acute myeloid leukemia or MLL-r acute lymphoblastic leukemia (ALL) showed dramatic reductions of leukemia burden when treated with VTP50469.


Chemical Structure

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VTP50469 free base
CAS# 2169916-18-9 (free base)

Theoretical Analysis

MedKoo Cat#: 533776
Name: VTP50469 free base
CAS#: 2169916-18-9 (free base)
Chemical Formula: C32H47FN6O4S
Exact Mass: 630.3364
Molecular Weight: 630.8244
Elemental Analysis: C, 60.93; H, 7.51; F, 3.01; N, 13.32; O, 10.14; S, 5.08

Price and Availability

Size Price Availability Quantity
50.0mg USD 850.0 2 Weeks
100.0mg USD 1550.0 2 Weeks
200.0mg USD 2550.0 2 Weeks
500.0mg USD 3950.0 2 Weeks
1.0g USD 5250.0 2 Weeks
2.0g USD 8650.0 2 Weeks
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Related CAS #: 2169919-27-9 (mesylate)   2169919-29-1 (furmarate)   2169916-18-9 (free base)    

Synonym: VTP-50469; VTP 50469; VTP50469;

IUPAC/Chemical Name: 5-Fluoro-N,N-diisopropyl-2-((4-(7-(((1r,4r)-4-(methylsulfonamido)cyclohexyl)methyl)-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl)oxy)benzamide

InChi Key: ADHHOUXZPBYYSU-YOCNBXQISA-N

InChi Code: InChI=1S/C32H47FN6O4S/c1-22(2)39(23(3)4)31(40)27-16-25(33)8-11-28(27)43-29-17-34-21-35-30(29)38-19-32(20-38)12-14-37(15-13-32)18-24-6-9-26(10-7-24)36-44(5,41)42/h8,11,16-17,21-24,26,36H,6-7,9-10,12-15,18-20H2,1-5H3/t24-,26-

SMILES Code: O=C(N(C(C)C)C(C)C)C1=CC(F)=CC=C1OC2=CN=CN=C2N3CC4(CCN(C[C@H]5CC[C@H](NS(=O)(C)=O)CC5)CC4)C3

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: >3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 630.8244 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

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1: Kurmasheva RT, Bandyopadhyay A, Favours E, Pozo VD, Ghilu S, Phelps DA, McGeehan GM, Erickson SW, Smith MA, Houghton PJ. Evaluation of VTP-50469, a menin-MLL1 inhibitor, against Ewing sarcoma xenograft models by the pediatric preclinical testing consortium. Pediatr Blood Cancer. 2020 Jul;67(7):e28284. doi: 10.1002/pbc.28284. Epub 2020 Apr 25. PMID: 32333633.

2: Gundry MC, Goodell MA, Brunetti L. It's All About MEis: Menin-MLL Inhibition Eradicates NPM1-Mutated and MLL-Rearranged Acute Leukemias in Mice. Cancer Cell. 2020 Mar 16;37(3):267-269. doi: 10.1016/j.ccell.2020.02.011. PMID: 32183947.

3: Uckelmann HJ, Kim SM, Wong EM, Hatton C, Giovinazzo H, Gadrey JY, Krivtsov AV, Rücker FG, Döhner K, McGeehan GM, Levine RL, Bullinger L, Vassiliou GS, Armstrong SA. Therapeutic targeting of preleukemia cells in a mouse model of NPM1 mutant acute myeloid leukemia. Science. 2020 Jan 31;367(6477):586-590. doi: 10.1126/science.aax5863. PMID: 32001657; PMCID: PMC7754791.

4: Krivtsov AV, Evans K, Gadrey JY, Eschle BK, Hatton C, Uckelmann HJ, Ross KN, Perner F, Olsen SN, Pritchard T, McDermott L, Jones CD, Jing D, Braytee A, Chacon D, Earley E, McKeever BM, Claremon D, Gifford AJ, Lee HJ, Teicher BA, Pimanda JE, Beck D, Perry JA, Smith MA, McGeehan GM, Lock RB, Armstrong SA. A Menin-MLL Inhibitor Induces Specific Chromatin Changes and Eradicates Disease in Models of MLL-Rearranged Leukemia. Cancer Cell. 2019 Dec 9;36(6):660-673.e11. doi: 10.1016/j.ccell.2019.11.001. PMID: 31821784; PMCID: PMC7227117.