Auristatin F - ≥99% , CAS No.163768-50-1

CAS: 163768-50-1 Cat. No.: A650109 Molecular Weight: 746 PubChem CID: 67472795

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Auristatin F is a potent cytotoxin in antibo-conjugated agents and an analogue of MMAF. Auristatin F is a potent microtubule inhibitor and vascular damaging agent (VDA). Auristatin F inhibits cell division by preventing tubulin aggregation. Auristatin F can be used in antibody-drug conjugates (ADC)

In Vitro

Auristatin F and Monomethyl Auristatin F (MMAF) are potent ADC cytotoxin used in antibody-drug conjugates. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Auristatin F (5 mg/kg; i.v.; male Sprague-Dawley rats) has C max of 8276.76 ng/mL. The AUC last is 65661.30 min*ng/mL, and the clearance (CL) is 77.33 mL/min/kg, which is above the hepatic blood flow in the rat. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Sprague-Dawley ratsDosage: 5 mg/kg Administration: Intravenous injection Result: 1.19 Parameter Dose (i.v.) mg/kg 5 C max (ng/mL) 8276.76 AUC last (min*ng/mL) 62661.30 CL (mL/min/ng) 77.33 Vss (mL/Kg) 1057.13

Form:Solid

IC50& Target:Microtubule

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Auristatin F is a potent cytotoxin in antibo-conjugated agents and an analogue of MMAF. Auristatin F is a potent microtubule inhibitor and vascular damaging agent (VDA). Auristatin F inhibits cell division by preventing tubulin aggregation. Auristatin F c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C
• IUPAC Name: (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
• InChIKey: LGNCNVVZCUVPOT-FUVGGWJZSA-N
• INCHI: 1S/C40H67N5O8/c1-13-26(6)35(44(10)39(49)33(24(2)3)42-38(48)34(25(4)5)43(8)9)31(52-11)23-32(46)45-21-17-20-30(45)36(53-12)27(7)37(47)41-29(40(50)51)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36H,13,17,20-23H2,1-12H3,(H,41,47)(H,42,48)(H,50,51)/t26-,27+,29-,30-,31+,33-,34-,35-,36+/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C
• PubChem CID: 67472795
• Molecular Weight: 746

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 200 mg/mL (268.10 mM; Need ultrasonic)
• Molecular Weight: 746.000 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 21
• Exact Mass: 745.499 Da
• Monoisotopic Mass: 745.499 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1