Products for Research Use Only
RegisterLogin

VTP50469 fumarate

CAT: 0931-T13336LSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T13336LSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2169919-29-1
Target
Others, Apoptosis, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic, Others, Apoptosis
Bioactivity
VTP50469 fumarate is a highly selective and orally active inhibitor of Menin-MLL interaction (Ki: 104 pM), and has potently anti-leukemia activity.
Smiles
OC(/C=C/C(O)=O)=O.CC(C)N(C(C)C)C(C(C=C(C=C1)F)=C1OC2=CN=CN=C2N(C3)CC3(CC4)CCN4C[C@@H]5CC[C@H](CC5)NS(C)(=O)=O)=O.CC(C)N(C(C)C)C(C(C=C(C=C6)F)=C6OC7=CN=CN=C7N(C8)CC8(CC9)CCN9C[C@@H]%10CC[C@H](CC%10)NS(C)(=O)=O)=O.OC(/C=C/C(O)=O)=O.OC(/C=C/C(O)=O)=O
Molecular Formula
C76H106F2N12O20S2
Molecular Weight
1609.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VTP50469 fumarate
CAS Number2169919-29-1
PubChem CID168012211
IUPAC Nametris((E)-but-2-enedioic acid);bis(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 FormulaC76H106F2N12O20S2
Molecular Weight1609.9
Topological Polar Surface Area457
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count32
Rotatable Bond Count26
Heavy Atom Count112
Formal Charge0
Complexity1160
SMILES
CC(N(C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)C(C)C)C.CC(N(C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)C(C)C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C32H47FN6O4S.3C4H4O4/c2*1-22(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;3*5-3(6)1-2-4(7)8/h2*8,11,16-17,21-24,26,36H,6-7,9-10,12-15,18-20H2,1-5H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
InChIKey
DGSSIIRNGCQGQL-VQYXCCSOSA-N
Chemical Structure
2D Structure
2D structure of VTP50469 fumarate
CAS: 2169919-29-1
CID: 168012211
Formula: C76H106F2N12O20S2
MW: 1609.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1609.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count32
Rotatable Bond Count26
Exact Mass1608.70558249
Monoisotopic Mass1608.70558249
Topological Polar Surface Area457 Ų
Heavy Atom Count112
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

Related Products

CatalogName
T13336-01VTP50469
T69846-01VTP50469 mesylate
TN6813Monoethyl fumarate
T71017-01Picumeterol fumarate
T69938-01Befiradol fumarate
T202032-01Amfepentorex fumarate
T40358Ensitrelvir fumarate
T60950-01Pirepemat fumarate
T41076-01Desvenlafaxine fumarate
T72393-01Crozbaciclib fumarate

Alternative Products

CatalogName
MBS5767853VTP50469 fumarate
HY-114162A-01VTP50469 (fumarate)
MBS3613633-01VTP50469
MBS5812391VTP50469 mesylate
A22238-5VTP50469 5mg
HY-114162R-01VTP50469 (Standard)
A22238-100VTP50469 100mg
A22238-25VTP50469 25mg
A22238-50VTP50469 50mg
A22238-10VTP50469 10mg

Popular Products