Diazepinomicin

CAT: 0931-T15113-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T15113-02Size:50 mg

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CAS Number

733035-26-2

Target

Ras, Apoptosis, Others

Related Pathways

Apoptosis, GPCR/G Protein, Others, MAPK

Bioactivity

Diazepinomicin is a secondary metabolite produced by Micromonospora sp. It inhibits the EGF-induced Ras-ERK MAPK signaling pathway and induces apoptosis. Diazepinomicin also is an anti-tumor agent for K-Ras mutant models.

Smiles

CC(C)=CCC\C(C)=C\CC\C(C)=C\CN1c2cc(O)cc(O)c2Nc2c(O)cccc2C1=O

Molecular Formula

C28H34N2O4

Molecular Weight

462.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Eco 4601

Diazepinomicin is a dibenzodiazepine with a farnesyl sidechain synthesized by Micromonospora sp.. It has a potent activity against a broad spectrum of tumor cell lines. It has a role as an antioxidant, an antineoplastic agent and a cathepsin L (EC 3.4.22.15) inhibitor. It is a triol, a secondary amine, a farnesane sesquiterpenoid, a dibenzodiazepine and an olefinic compound. It contains a 2-trans,6-trans-farnesyl group.

CAS Number	733035-26-2
PubChem CID	9868980
IUPAC Name	1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Molecular Formula	C28H34N2O4
Molecular Weight	462.6
XLogP	6.7
Topological Polar Surface Area	93
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	34
Formal Charge	0
Complexity	785

SMILES

CC(=CCC/C(=C/CC/C(=C/CN1C2=C(C(=CC(=C2)O)O)NC3=C(C1=O)C=CC=C3O)/C)/C)C

InChI

InChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+

InChIKey

SALVHVNECODMJP-GNUCVDFRSA-N

Chemical Structure

2D Structure

CAS: 733035-26-2

CID: 9868980

Formula: C28H34N2O4

MW: 462.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	462.6
XLogP3	6.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	462.25185757
Monoisotopic Mass	462.25185757
Topological Polar Surface Area	93 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	785
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
M15806	Diazepinomicin
A12891-25	Diazepinomicin 25mg
A12891-5	Diazepinomicin 5mg
A12891-50	Diazepinomicin 50mg
A12891-10	Diazepinomicin 10mg

Diazepinomicin

Chemical Information

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