Methotrexate diethyl ester

CAT: 0931-T69257-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T69257-01Size:25 mg

Selected

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

Quick Request Actions

CAS Number

43170-88-3

Target

Others

Related Pathways

Others

Bioactivity

Methotrexate diethyl ester is an antineoplastic antimetabolite with immunosuppressant properties. It is an inhibitor of tetrahydrofoltae dehydrogenase and prevents the formation of tetrahydrofolate, necessary for synthesis of thymidylate, an essential component of DNA.

Smiles

NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(OCC)=O)C(OCC)=O)=O)C=C3)=N2)N=C(N)N1

Molecular Formula

C24H30N8O5

Molecular Weight

510.55

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Diethyl methotrexate

CAS Number	43170-88-3
PubChem CID	94528
IUPAC Name	diethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Molecular Formula	C24H30N8O5
Molecular Weight	510.5
XLogP	1
Topological Polar Surface Area	189
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	13
Heavy Atom Count	37
Formal Charge	0
Complexity	765

SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1

InChIKey

MZRRIAJJDAPQRO-KRWDZBQOSA-N

Chemical Structure

2D Structure

CAS: 43170-88-3

CID: 94528

Formula: C24H30N8O5

MW: 510.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	510.5
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	13
Exact Mass	510.23391609
Monoisotopic Mass	510.23391609
Topological Polar Surface Area	189 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	765
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

Related Products

Catalog	Name
T25796-01	Methotrexate 1-methyl ester
T25797-01	Methotrexate 5-methyl ester
T72123-01	Methotrexate α-tert-butyl ester
T70583-01	Pemetrexed Diethyl Ester
T68202-01	Glutathione diethyl ester
T69177-01	Methotrexate di-n-butyl ester
T2A2497L-01	Glutamic acid diethyl ester
T1485-01	Methotrexate
T14851-01	C2-Bis-phosphoramidic acid diethyl ester
T14793-01	Bromo-PEG2-phosphonic acid diethyl ester

Alternative Products

Catalog	Name
HY-Z15986	Methotrexate diethyl ester
AR-M03596-01	Methotrexate diethyl ester Nitroso Impurity
TRC-D414285-1G	Diethyl-4-(methylamino) Methotrexate
JH674422	Methotrexate dimethyl ester
HY-135101-01	Methotrexate γ-Methyl Ester
OR1039768	Methotrexate ?-Methyl Ester
164882	Methotrexate α-Methyl Ester
597187	Methotrexate 5-methyl ester
TRC-M260700-10MG	Methotrexate a-Methyl Ester (>90%)
TRC-M260705-50MG	Methotrexate gamma-Methyl Ester

Methotrexate diethyl ester

Chemical Information

Related Products

Alternative Products

Popular Products