N-(4-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)glutamic acid | CAS No. 60388-53-6

Basic Information

CAS Number

60388-53-6

Molecular Formula

C20H22N8O5

Molecular Weight

454.45 g/mol

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Basic Physical Properties

Melting Point

195 °C (dec.)(lit.)

SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)

InChIKey

FBOZXECLQNJBKD-UHFFFAOYSA-N

LogP

0.2684000000000003

Topological Polar Surface Area

210.53999999999996 Å²

Hydrogen Bond Donor/Acceptor

7 / 13

Complexity

704

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

Synonyms & References

English

NCGC00095284-01
Kyselina 4-amino-N10-methylpteroylglutamova
BRD-A55424491-001-08-2
6-Mtx (DL)
Methotrexate (hydrate)
(+/-)Amethopterin
Methotrexate pound>>Amethopterin
HMS3713K07
Methotrexate2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
Folex (Salt/Mix)
NCGC00015079-03
Amethopterin; DL-Amethopterin
Prestwick3_000373
SMR001565548
DL-Methotrexate
SR-05000001673-2
METHOTREXATE(+/-)
Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
DL-MTX
HMS3403O03
NSC117356
SCHEMBL20369096
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(methotrexate(MTX))
4-Amino-N10-methylpteroylglutamic acid
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(MTX)
Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-
BCP29918
NSC 117356
Prestwick3_000135
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (MTX)
CHEBI:93775
FBOZXECLQNJBKD-UHFFFAOYSA-N
Q27165469
Folex
NCI60_041622
HMS1920L21
N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid
HMS2091D16
Prestwick_753
CCG-212689
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
BSPBio_000525
BSPBio_001993
99ITO15X8S
Prestwick0_000373
SR-05000001673
HMS2096K07
BPBio1_000232
DL-Amethopterin
BDBM50004545
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid
SCHEMBL11986730
(+)-Amethopterin
N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid
HMS3869E13
60388-53-6
ChEMBL_59579
Prestwick1_000373
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate, MXT)
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
EINECS 262-213-7
UNII-99ITO15X8S
SCHEMBL3712
BSPBio_000210
N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)GLUTAMIC ACID
(+-)-Methotrexate
GLUTAMIC ACID, N-(4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)METHYLAMINO)BENZOYL)-
Prestwick2_000373
NCGC00095284-02
TCMDC-125488
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Amethopterin)
(MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-
Methotrexate;DL-Amethopterin
FT-0601523
NSC-117356
HMS1569K07
SBI-0053664.P003
(+/-)-METHOTREXATE
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate )
BDBM50600679
DL-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid bis-adamantan-1-ylamide
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate)
AC-11680
EN300-296152
TCMDC-123832
MLS002701970
NSC757113
HMS3371G08
HMS3267F07
4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(methotrexate, MTX)
SPBio_002446
2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioicacid
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate (MTX))
Amethopterin (hydrate); CL14377 (hydrate); WR19039 (hydrate)
CHEMBL426
AKOS000281496
2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
SPECTRUM1500398
(methotrexate)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
N-(p-((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid, (L)-
Methotrexate, (+/-)-
NS00001328
SR-05000001673-1
NCGC00015079-04
Pharmakon1600-01500398
DTXSID40859034
HMS3654M22
M1664
2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid
D(-)-AMETHOPTERIN
N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid, (L)-
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (Methotrexate)
Amethopterin
L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-
NCGC00015079-07
FT-0630651
BCP02078
BRD-A55424491-001-07-4
BPBio1_000579
Amethopterin (R,S)
AKOS024282621
AB02593
NSC-757113
(Methotrexate, MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-DL-glutamic acid
DL-Methotrexate Dipotassium Salt Dihydrate
(+/-)AMETHOPTERIN
(±)AMethopterin hydrate
(plus-Minus)-aMethopterin(-20`C)
2S,5S-Methionine sulfoximine
4-amino-10-methylpteroyl-glutamic acid
4-amino-N10-methylpteroylglutamic acid
D-methionine-R-sulfoximine
D-Methotrexat
(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)glutamic acid

MDL_Number

MFCD00064369

CAS Number

60388-53-6

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Hubei Qingbei Yunchen Medicine Technology Co., Ltd.
China - Hubei Yangxin Pharmaceutical Technology Co., Ltd.
China - Shanghai Jieshukai Biotechnology Co., Ltd.
China - Shanghai Hansi Chemical Co., Ltd.
China - Jin Jinle (Hunan) Chemical Co., Ltd.
China - Shanghai Yuyeh Biotechnology Co., Ltd.
China - Tianshui Huayuan Pharmaceutical Equipment Technology Limited Liability
China - Shenzhen Hebang New Materials Technology Co., Ltd.