Methasquin

CAT: 0931-T70080-03Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T70080-03Size:100 mg

Selected

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

Quick Request Actions

CAS Number

18921-70-5

Target

Others

Related Pathways

Others

Bioactivity

Methasquin is a folic acid antagonist that has been used in the treatment of experimental leukemia; acts by inhibiting the dihydrofolate reductase in the cell.

Smiles

CC=1C2=C(C=CC1CNC3=CC=C(C(N[C@@H](CC(O)=O)C(O)=O)=O)C=C3)N=C(N)N=C2N

Molecular Formula

C21H22N6O5

Molecular Weight

438.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Methasquin

folic acid antagonist that has been used in the treatment of experimental leukemia; acts by inhibiting the dihydrofolate reductase in the cell; minor descriptor (75-85); on-line & Index Medicus search ASPARTIC ACID/AA (75-85); RN given refers to parent cpd

CAS Number	18921-70-5
PubChem CID	21116266
IUPAC Name	(2S)-2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Molecular Formula	C21H22N6O5
Molecular Weight	438.4
XLogP	1
Topological Polar Surface Area	194
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	32
Formal Charge	0
Complexity	686

SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C21H22N6O5/c1-10-12(4-7-14-17(10)18(22)27-21(23)26-14)9-24-13-5-2-11(3-6-13)19(30)25-15(20(31)32)8-16(28)29/h2-7,15,24H,8-9H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)/t15-/m0/s1

InChIKey

NTKNUVXCGJPJQP-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 18921-70-5

CID: 21116266

Formula: C21H22N6O5

MW: 438.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	438.4
XLogP3	1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	438.16516782
Monoisotopic Mass	438.16516782
Topological Polar Surface Area	194 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	686
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
MBS5812623	Methasquin

Methasquin

Chemical Information

Alternative Products

Popular Products