VTP50469

CAT: 0931-T13336-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T13336-05Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2169916-18-9

Target

Histone Methyltransferase, Epigenetic Reader Domain, Apoptosis

Related Pathways

Apoptosis, Chromatin/Epigenetic

Purity

0.9955

Bioactivity

VTP50469 is a highly selective and orally active small molecule inhibitor of the Menin-MLL protein-protein interaction with potent anti-leukemic activity with a Ki of 104 pM.

Smiles

CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)CC2

Molecular Formula

C32H47FN6O4S

Molecular Weight

630.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide

VTP-50469 is an organic molecular entity. It has a role as an antineoplastic agent.

CAS Number	2169916-18-9
PubChem CID	132212900
IUPAC Name	5-fluoro-2-[4-[7-[[4-(methanesulfonamido)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide
Molecular Formula	C32H47FN6O4S
Molecular Weight	630.8
XLogP	4.4
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	44
Formal Charge	0
Complexity	1040

SMILES

CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C

InChI

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

InChIKey

ADHHOUXZPBYYSU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2169916-18-9

CID: 132212900

Formula: C32H47FN6O4S

MW: 630.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	630.8
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	630.33635334
Monoisotopic Mass	630.33635334
Topological Polar Surface Area	116 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3613633-01	VTP50469
MBS5812391	VTP50469 mesylate
A22238-5	VTP50469 5mg
HY-114162R-01	VTP50469 (Standard)
A22238-100	VTP50469 100mg
A22238-25	VTP50469 25mg
MBS5767853	VTP50469 fumarate
A22238-50	VTP50469 50mg
A22238-10	VTP50469 10mg
A22238-1	VTP50469 1mg

VTP50469

Chemical Information

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