Lysine-iodoacetylmethotrexate

CAT: 0931-T68629-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T68629-01Size:25 mg

Selected

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

Quick Request Actions

CAS Number

82339-36-4

Target

Others

Related Pathways

Others

Bioactivity

Lysine-iodoacetylmethotrexate if a Folic Acid Antagonist.

Smiles

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

Molecular Formula

C23H28IN9O4

Molecular Weight

621.43

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Lysine-iodoacetylmethotrexate

structure given in first source

CAS Number	82339-36-4
PubChem CID	133889
IUPAC Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-[(2-iodoacetyl)amino]hexanoic acid
Molecular Formula	C23H28IN9O4
Molecular Weight	621.4
XLogP	-0.6
Topological Polar Surface Area	202
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Heavy Atom Count	37
Formal Charge	0
Complexity	770

SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCCNC(=O)CI)C(=O)O

InChI

InChI=1S/C23H28IN9O4/c1-33(12-14-11-28-20-18(29-14)19(25)31-23(26)32-20)15-7-5-13(6-8-15)21(35)30-16(22(36)37)4-2-3-9-27-17(34)10-24/h5-8,11,16H,2-4,9-10,12H2,1H3,(H,27,34)(H,30,35)(H,36,37)(H4,25,26,28,31,32)/t16-/m0/s1

InChIKey

NDRPUTRIAJPVPS-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 82339-36-4

CID: 133889

Formula: C23H28IN9O4

MW: 621.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	621.4
XLogP3	-0.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Exact Mass	621.13090
Monoisotopic Mass	621.13090
Topological Polar Surface Area	202 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	770
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
T24094-01	Glycerophosphoinositol lysine
T15350-01	Fructosyl-lysine
T25220-01	Cefalexin lysine
T33053-01	Lysine clofibrate
T33059-01	Lysine octatrienoate
T33051-01	Lysine carbonate
T33050-01	Lysine butyrate
T2A2498L2	Lysine acetate
T19516-01	Photo-lysine
T66651-01	D-Lysine

Alternative Products

Catalog	Name
MBS5811189	Lysine-iodoacetylmethotrexate
168335	Lysine, acetylated (Acetyl-Lysine, Acetylated Lysine)
L9058-02D-01	Lysine, Acetylated (Acetyl-Lysine)
MBS628037-01	Lysine, methylated (Methyl-Lysine)
MBS3608820-01	lysine
HY-N8061	β-Lysine

Lysine-iodoacetylmethotrexate

Chemical Information

Related Products

Alternative Products

Popular Products