AMI-1

CAT: 0931-T2352-05Size: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T2352-05Size:500 mg

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

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CAS Number

20324-87-2

Target

Histone Methyltransferase

Related Pathways

Chromatin/Epigenetic

Purity

0.9998

Bioactivity

AMI-1 is an effective and selective Histone Methyltransferase (HMT) inhibitor (IC50: 3.0/8.8 μM, for yeast Hmt1p, and human PRMT1) .

Smiles

[Na+].[Na+].Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S([O-])(=O)=O)ccc12)S([O-])(=O)=O

Molecular Formula

C21H14N2Na2O9S2

Molecular Weight

548.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-, sodium salt (1:2)

CAS Number	20324-87-2
PubChem CID	88489
IUPAC Name	disodium;4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonate
Molecular Formula	C21H14N2Na2O9S2
Molecular Weight	548.5
Topological Polar Surface Area	213
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	36
Formal Charge	0
Complexity	859

SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C21H16N2O9S2.2Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2

InChIKey

MOUNHKKCIGVIDI-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 20324-87-2

CID: 88489

Formula: C21H14N2Na2O9S2

MW: 548.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	548.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	547.99361094
Monoisotopic Mass	547.99361094
Topological Polar Surface Area	213 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	859
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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MBS576487	AMI-1
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