Crystal structures of dolastatin 16, dolamethylleuine and dolaphenvaline, and methods for preparing dolamethylleuine and dolaphenvaline
The present invention relates to the crystal structures of dolastatin 16, dolamethylleuine and dolaphenvaline. The present invention also relates to processes for preparing dolamethylleuine and dolaphenvaline. The present invention further relates to computer readable medium with crystal structural data and/or information stored thereon.
1. A crystal comprising dolastatin 16:
wherein said crystal is in space group P2(1); and said crystal has unit cell dimensions of a=10.844 (5) Å, b=16.133 (5) Å, c=16.050 (5) Å, α=90.000 (5°), β=104.062 (5°), γ=90.000 (5°), V=2720.4 (17) Å 3 .
2. A crystallizable composition comprising dolastatin 16, wherein the crystallizable composition forms a crystal of dolastatin 16 that is of X-ray diffraction quality and wherein said crystal is in space group P2(1); and said crystal has unit cell dimensions of a=10.844 (5) Å, b=16.133 (5) Å, c=16.050 (5) Å, α=90.000 (5°), β=104.062 (5°), γ=90.000 (5°), V=2720.4 (17) Å 3 .
3. A crystal of dolastatin 16 having the X-ray crystal structure of FIG. 1 and wherein said crystal is in space group P2(1); and said crystal has unit cell dimensions of a=10.844 (5) Å, b=16.133 (5) Å, c=16.050 (5) Å, α=90.000 (5°), β=104.062 (5°), γ=90.000 (5°), V=2720.4 (17) Å 3 .
4. A method of obtaining a crystal of dolastatin 16, wherein said crystal is in space group P2(1); and said crystal has unit cell dimensions of a=10.844 (5) Å, b=16.133 (5) Å, c=16.050 (5) Å, α=90.000 (5°), β=104.062 (5°), γ=90.000 (5°), V=2720.4 (17) Å 3 , the method comprising the steps of:
(a) combining dolastatin 16 with a crystallization solution to produce a crystallizable composition; and
(b) subjecting the crystallizable composition to conditions that promote crystallization, thereby obtaining said crystal.