GGTI-2418

CAT: 0127-BISN0072-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BISN0072-01Size:1 mg

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

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CAS Number

501010-06-6

MDL Number

MFCD25976818

Purity

98%

Smiles

CC(C)C[C@H](NC(=O)N1CCN(Cc2[nH]cnc2C)C(=O)[C@@H]1Cc3ccccc3)C(=O)O

Notes

GGTI-2418 is a highly potent, competitive, and selective GGTase I inhibitor with IC50 value of 9.5nM.

Chemical Information

Ggti-2418

Geranylgeranyltransferase I Inhibitor PTX-100 is a small molecule and synthetic peptidomimetic inhibitor of the protein geranylgeranyltransferase type 1 (GGTase-I; GGT-1), with potential antineoplastic activity. Upon administration, GGTase-I inhibitor PTX-100 targets and binds to GGTase-I, an enzyme involved in the posttranslational modification of numerous oncogenic GTPases, including K-Ras, N-Ras, RhoA, RhoC, Cdc42, RalA, RalB, Rap1 and Rac1. Inhibition of geranylgeranylation (GG), inhibits the post-translational modification of these oncogenic proteins, inhibits their membrane localization and oncogenic activity. This prevents Ras-mediated signaling and prevents Ras-mediated cancer cell proliferation, migration, invasion, and metastasis. This may result in cell cycle arrest and induce apoptosis. In addition, PTX-100 may also downregulate a variety of other activated cancer survival pathways. Protein geranylgeranylation, catalyzed by GGTase-I, plays a critical role in malignant transformation and cancer cell proliferation, migration, and invasion.

CAS Number	501010-06-6
PubChem CID	11539477
IUPAC Name	(2S)-2-[[(2S)-2-benzyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-oxopiperazine-1-carbonyl]amino]-4-methylpentanoic acid
Molecular Formula	C23H31N5O4
Molecular Weight	441.5
XLogP	2.2
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	32
Formal Charge	0
Complexity	667

SMILES

CC1=C(N=CN1)CN2CCN([C@H](C2=O)CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20-/m0/s1

InChIKey

COLCNDRDBCLVOC-ICSRJNTNSA-N

Chemical Structure

2D Structure

CAS: 501010-06-6

CID: 11539477

Formula: C23H31N5O4

MW: 441.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	441.5
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	441.23760449
Monoisotopic Mass	441.23760449
Topological Polar Surface Area	119 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	667
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BA2803-25	GGTI-2418
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A13112-50	GGTI-2418 50mg
A13112-10	GGTI-2418 10mg
A13112-5	GGTI-2418 5mg
A13112-100	GGTI-2418 100mg
A13112-25	GGTI-2418 25mg
A13112-1	GGTI-2418 1mg
GTR19210478-01	SIMR-2418
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GGTI-2418

Chemical Information

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