415974-44-6

Basic information

• Product Name: 3-benzyloxy-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-dioic acid
• Synonyms: 3-benzyloxy-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-dioic acid
• CAS NO: 415974-44-6
• Molecular Weight: 408.494
• Mol File: 415974-44-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 3-benzyloxy-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-dioic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-benzyloxy-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-dioic acid(415974-44-6)
• EPA Substance Registry System: 3-benzyloxy-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-dioic acid(415974-44-6)

Safety Data

• Hazardous Substances Data: 415974-44-6(Hazardous Substances Data)

Upstream product

• 858-98-0 3-benzyloxyestra-1,3,5⁽¹⁰⁾-trien-17-one 

Downstream Products

• 415974-45-7 3-benzyloxy-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-56-0 3-benzyloxy-N-benzyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-54-8 3-benzyloxy-N-(1''-pyridin-3''-ylmethyl)-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 21528-81-4 3-benzyloxy-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-dioic acid dimethyl ester 
• 415974-55-9 3-benzyloxy-N-(4''-tert-butyl-benzyl)-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-52-6 3-benzyloxy-N-(4'-bromobutyl)-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-51-5 3-benzyloxy-N-hexyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-50-4 3-benzyloxy-N-pentyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-65-1 3-hydroxy-N-(4''-tert-butyl-benzyl)-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-53-7 3-benzyloxy-N-cyclopropylmethyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-49-1 3-benzyloxy-N-butyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-48-0 3-benzyloxy-N-propyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-47-9 3-benzyloxy-N-ethyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 
• 415974-66-2 3-hydroxy-N-benzyl-16,17-seco-estra-1,3,5⁽¹⁰⁾-triene-16,17-imide 

Relevant articles and documents

D-ring modified estrone derivatives as novel potent inhibitors of steroid sulfatase

A series of novel D-ring modified derivatives of estrone was synthesized and tested as inhibitors of steroid sulfatase (STS). The steroidal D-ring was cleaved via an iodoform reaction and thermal condensation of the resulting marrianolic acid derivative g

COMPOUND

There is provided a compound of Formula (I) wherein (I) R is a selected from (i) an alkyloxyalkyl group (ii) a nitrile group, and wherein R is capable of forming a hydrogen bond (iii) alkylaryl group, wherein the aryl group is substituted by other than a C1-10 group (iv) alkenylaryl group wherein the aryl group is substituted (v) alkyiheteroaryl group, wherein when heteroaryl group comprises only C and N in the ring, the aryl group is substituted by other than a methyl group (vi) alkenylheteroaryl group, (vii) =N-O-alkyl or =N-O-H group (viii) branched alkenyl (ix) alkyl-alcohol group (x) amide or alkylamide wherein (a) the alkyl of the alkylamide is - CH2- or -CH2CH2-, (b) the amide is di-substituted and/or (c) the amide is substituted with at least one of a I kyl heterocycle group, al ke nyl heterocycle group, alkylheteroaryl group, alkenylheteroaryl group, heteroaryl group, alkylamine group, alkyloxyalkyl group, alkylaryl group, straight or branched alkyl group, (xi) -CHO so that R, together with R3 provide the enol tautomer (a); OR R1 together with R form (xii) a pyrazole wherein (a) R is =N-0-alkyl or =N-0-H group, (b) the pyrazole is substituted with one of alkyl-OH group, alkyl ester group, alkyloxyalkyl. group, branched alkyl group, and an amide and/or (c) the 2 position is substituted with a group selected from -OH and -0-hydrocarbyl (xiii) a heteroaryl ring to provide a compound of the formula (b); (II) Ris selected from groups capable of forming a hydrogen bond, a sulphamate group, a phosphonate group, a thiophosphonate group, a sulphonate group and a sulphonamide group; and (III) Ris selected from -OH, =O, or a -C(=O)- mimetic.