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BM30

CAT: 0804-HY-P10407-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P10407-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BM30 is a selective peptidomimetic NTMT1 and NTMT2 inhibitor (IC50: 0.89 μM for NTMT1) [1].
CAS Number
2606862-05-7
UNSPSC
12352209
Target
DNA Methyltransferase
Type
Peptides
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bm30.html
Purity
99.45
Smiles
O=C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N)=O)=O)[C@H]1N(C(CC2=CC=C(O)C=C2)=O)CCC1
Molecular Formula
C25H40N8O5
Molecular Weight
532.64
References & Citations
[1]Mackie BD, et al. Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies. J Med Chem. 2020 Sep 10;63 (17) :9512-9522.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-1-[2-(4-hydroxyphenyl)acetyl]pyrrolidine-2-carboxamide
CAS Number2606862-05-7
PubChem CID146263406
IUPAC Name(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-1-[2-(4-hydroxyphenyl)acetyl]pyrrolidine-2-carboxamide
Molecular FormulaC25H40N8O5
Molecular Weight532.6
XLogP-1.5
Topological Polar Surface Area232
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count38
Formal Charge0
Complexity827
SMILES
C1C[C@H](N(C1)C(=O)CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
InChI
InChI=1S/C25H40N8O5/c26-12-2-1-5-19(23(37)31-18(22(27)36)6-3-13-30-25(28)29)32-24(38)20-7-4-14-33(20)21(35)15-16-8-10-17(34)11-9-16/h8-11,18-20,34H,1-7,12-15,26H2,(H2,27,36)(H,31,37)(H,32,38)(H4,28,29,30)/t18-,19-,20-/m0/s1
InChIKey
OTJOBCMTWIFWOC-UFYCRDLUSA-N
Chemical Structure
2D Structure
2D structure of (2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-1-[2-(4-hydroxyphenyl)acetyl]pyrrolidine-2-carboxamide
CAS: 2606862-05-7
CID: 146263406
Formula: C25H40N8O5
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP3-1.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass532.31216641
Monoisotopic Mass532.31216641
Topological Polar Surface Area232 Ų
Heavy Atom Count38
Formal Charge0
Complexity827
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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