VTP-50469 | CAS#2169916-18-9 | MLL1 inhibitor

MedKoo Cat#: 533776 | Name: VTP50469 free base

Description:

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

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

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: 630.82

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
50mg	USD 950.00	2 Weeks
100mg	USD 1,650.00	2 Weeks
200mg	USD 2,650.00	2 Weeks
500mg	USD 4,650.00	2 Weeks
1g	USD 5,950.00	2 Weeks
2g	USD 9,950.00	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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 630.82 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.

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

1: Dai Z, Gao Q, Ying M, Wang A, Hong J, Wang C, Guo Y, Liu C, Liu G. C6TSEDRVAJZ小分子化合物组合诱导人胎盘成纤维细胞分化为上皮样细胞 [C6TSEDRVAJZ, a combination of small- molecule compounds, induces differentiation of human placental fibroblasts into epithelioid cells in vitro]. Nan Fang Yi Ke Da Xue Xue Bao. 2025 Feb 20;45(2):322-330. Chinese. doi: 10.12122/j.issn.1673-4254.2025.02.13. PMID: 40031976; PMCID: PMC11875853. 2: He B, Bie Q, Zhao R, Yan Y, Dong G, Zhang B, Wang S, Xu W, Tian D, Hao Y, Zhang Y, Zhao M, Xiong H, Zhang B. Arachidonic acid released by PIK3CA mutant tumor cells triggers malignant transformation of colonic epithelium by inducing chromatin remodeling. Cell Rep Med. 2024 May 21;5(5):101510. doi: 10.1016/j.xcrm.2024.101510. Epub 2024 Apr 12. PMID: 38614093; PMCID: PMC11148513. 3: Bourgeois W, Cutler JA, Aubrey BJ, Wenge DV, Perner F, Martucci C, Henrich JA, Klega K, Nowak RP, Donovan KA, Boileau M, Wen Y, Hatton C, Apazidis AA, Olsen SN, Kirmani N, Pikman Y, Pollard JA, Perry JA, Sperling AS, Ebert BL, McGeehan GM, Crompton BD, Fischer ES, Armstrong SA. Mezigdomide is effective alone and in combination with menin inhibition in preclinical models of KMT2A-r and NPM1c AML. Blood. 2024 Apr 11;143(15):1513-1527. doi: 10.1182/blood.2023021105. PMID: 38096371; PMCID: PMC11033588. 4: Janssens DH, Meers MP, Wu SJ, Babaeva E, Meshinchi S, Sarthy JF, Ahmad K, Henikoff S. Automated CUT&Tag profiling of chromatin heterogeneity in mixed- lineage leukemia. Nat Genet. 2021 Nov;53(11):1586-1596. doi: 10.1038/s41588-021-00941-9. Epub 2021 Oct 18. PMID: 34663924; PMCID: PMC8571097. 5: Heikamp EB, Henrich JA, Perner F, Wong EM, Hatton C, Wen Y, Barwe SP, Gopalakrishnapillai A, Xu H, Uckelmann HJ, Takao S, Kazansky Y, Pikman Y, McGeehan GM, Kolb EA, Kentsis A, Armstrong SA. The menin-MLL1 interaction is a molecular dependency in NUP98-rearranged AML. Blood. 2022 Feb 10;139(6):894-906. doi: 10.1182/blood.2021012806. PMID: 34582559; PMCID: PMC8832476. 6: 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; PMCID: PMC10286575. 7: 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. 8: 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. 9: 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.

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