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AMI-408

CAT: 0013-GTR19238977-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238977-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AMI-408 is a potent and selective PRMT1 inhibitor. It effectively diminishes asymmetric dimethylation of histone H4 at arginine 3 (H4R3me2a) in MLL-rearranged leukemia models. This tool compound is useful for investigating epigenetic mechanisms in cancer research, both in vitro and in vivo.
CAS Number
78866-14-5
Field of Research
Epigenetics & Chromatin
Smiles
O=S ([O-]) (C1=C (N=NC2=CC=C (C=C2) OC) C (O) =C3C=CC (NC4=NC (Cl) =NC (Cl) =N4) =CC3=C1) =O.[Na+]
Molecular Formula
C20H13Cl2N6NaO5S
Molecular Weight
543.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
CAS Number78866-14-5
PubChem CID136180348
IUPAC Namesodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
Molecular FormulaC20H13Cl2N6NaO5S
Molecular Weight543.3
Topological Polar Surface Area170
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity808
SMILES
COC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C20H14Cl2N6O5S.Na/c1-33-13-5-2-11(3-6-13)27-28-16-15(34(30,31)32)9-10-8-12(4-7-14(10)17(16)29)23-20-25-18(21)24-19(22)26-20;/h2-9,29H,1H3,(H,30,31,32)(H,23,24,25,26);/q;+1/p-1
InChIKey
BZBNRRHPBNTVMD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
CAS: 78866-14-5
CID: 136180348
Formula: C20H13Cl2N6NaO5S
MW: 543.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass541.9942884
Monoisotopic Mass541.9942884
Topological Polar Surface Area170 Ų
Heavy Atom Count35
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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